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EVODEX.1-P475

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:28]([C@@:26]1([C:27]([H:109])([H:110])[H:111])[C@:24]([O:25][H:107])([H:108])[C:23]([H:105])([H:106])[C:22]([H:103])([H:104])[C@:20]2([C:21]([H:100])([H:101])[H:102])[C:15]3=[C:14]([C@:12]4([C:13]([H:90])([H:91])[H:92])[C:11]([H:88])([H:89])[C:10]([H:86])([H:87])[C@@:9]([C@@:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:126])([H:127])[H:128])[C:3]([H:79])([H:80])[H:81])[H:125])([H:123])[H:124])([H:121])[H:122])([C:8]([H:82])([H:83])[H:84])[H:120])([H:85])[C@@:18]4([C:19]([H:97])([H:98])[H:99])[C:17]([H:95])([H:96])[C:16]3([H:93])[H:94])[C:32]([H:118])([H:119])[C:31]([H:116])([H:117])[C@:30]21[H:115])([O:29][H])[H:113].[O:77]=[O:78]>>[C:1]([C:2]([C:3]([H:79])([H:80])[H:81])=[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:82])([H:83])[H:84])([C@@:9]1([H:85])[C:10]([H:86])([H:87])[C:11]([H:88])([H:89])[C@@:12]2([C:13]([H:90])([H:91])[H:92])[C:14]3=[C:15]([C:16]([H:93])([H:94])[C:17]([H:95])([H:96])[C@:18]12[C:19]([H:97])([H:98])[H:99])[C@@:20]1([C:21]([H:100])([H:101])[H:102])[C:22]([H:103])([H:104])[C:23]([H:105])([H:106])[C@@:24]([O:25][H:107])([H:108])[C@:26]([C:27]([H:109])([H:110])[H:111])([C:28](=[O:29])[H:113])[C@:30]1([H:115])[C:31]([H:116])([H:117])[C:32]3([H:118])[H:119])[H:120])([H:121])[H:122])([H:123])[H:124])[H:125])([H:126])([H:127])[H:128].[H][O:77][H].[H][O:78][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E21 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:28](-[#6@:26])(-[#8:29]-[H])(-[H:113])-[H].[#8:77]=[#8:78]>>[#6:28](-[#6@:26])(=[#8:29])-[H:113].[#8:77](-[H])-[H].[#8:78](-[H])-[H]

EVODEX.1-C1200 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:28](-[#6@@:26](-[#6@:24])-[#6@@:30]-[#6@:20])-[#8:29]-[H].[#6@:12]-[#6@@:18]).[#8:77]=[#8:78]>>([#6:28](-[#6@@:26](-[#6@@:24])-[#6@:30]-[#6@@:20])=[#8:29].[#6@@:12]-[#6@:18]).[H]-[#8:77]-[H].[H]-[#8:78]-[H]

EVODEX.1-N1489 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:28](-[#6@@:26]1(-[#6:27])-[#6@:24](-[#8:25])(-[H:108])-[#6:23]-[#6:22]-[#6@:20](-[#6:21])(-[#6:15]=[#6:14]-[#6@:12](-[#6:13])(-[#6:11])-[#6@:18](-[#6@@:9])(-[#6:19])-[#6:17])-[#6@:30]-1(-[#6:31])-[H:115])(-[#8:29]-[H])-[H:113].[#8:77]=[#8:78]>>[#6:11]-[#6@@:12](-[#6:13])(-[#6:14]=[#6:15]-[#6@@:20]1(-[#6:21])-[#6:22]-[#6:23]-[#6@@:24](-[#8:25])(-[H:108])-[#6@:26](-[#6:27])(-[#6:28](=[#8:29])-[H:113])-[#6@:30]-1(-[H:115])-[#6:31])-[#6@@:18](-[#6@@:9])(-[#6:17])-[#6:19].[H]-[#8:77]-[H].[H]-[#8:78]-[H]

EVODEX.1-Em200 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:28](-[#6:26])-[#8:29]-[H].[#8:77]=[#8:78]>>[#6:26]-[#6:28]=[#8:29].[H]-[#8:77]-[H].[H]-[#8:78]-[H]

EVODEX.1-Cm90 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]

EVODEX.1-Nm200 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:28](-[#6:26])-[#8:29]-[H].[#8:77]=[#8:78]>>[#6:26]-[#6:28]=[#8:29].[H]-[#8:77]-[H].[H]-[#8:78]-[H]

Source Full Reactions

EVODEX.1-R453

Full Reaction Rendering

[H][C:28]([C@@:26]1([C:27]([H:109])([H:110])[H:111])[C@:24]([O:25][H:107])([H:108])[C:23]([H:105])([H:106])[C:22]([H:103])([H:104])[C@:20]2([C:21]([H:100])([H:101])[H:102])[C:15]3=[C:14]([C@:12]4([C:13]([H:90])([H:91])[H:92])[C:11]([H:88])([H:89])[C:10]([H:86])([H:87])[C@@:9]([C@@:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:126])([H:127])[H:128])[C:3]([H:79])([H:80])[H:81])[H:125])([H:123])[H:124])([H:121])[H:122])([C:8]([H:82])([H:83])[H:84])[H:120])([H:85])[C@@:18]4([C:19]([H:97])([H:98])[H:99])[C:17]([H:95])([H:96])[C:16]3([H:93])[H:94])[C:32]([H:118])([H:119])[C:31]([H:116])([H:117])[C@:30]21[H:115])([O:29][H])[H:113].[HH].[H][C:76]1([H:154])[C:36]([C:34]([N:33]([H:156])[H:157])=[O:35])=[C:37]([H:129])[N:38]([C@:39]2([H:130])[O:40][C@@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:131])[O:47][P:48](=[O:49])([O:50][H:132])[O:51][C:52]([C@@:53]3([H:133])[O:54][C@:55]([N:56]4:[C:57]([H:134]):[N:58]:[C:59]5:[C:60]([N:61]([H:135])[H:136]):[N:62]:[C:63]([H:137]):[N:64]:[C:65]:4:5)([H:138])[C@@:66]([O:67][H:139])([H:140])[C@@:68]3([O:69][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[C@:70]([O:71][H:148])([H:149])[C@:72]2([O:73][H:150])[H:151])[C:74]([H:152])=[C:75]1[H:153].[O:77]=[O:78]>>[C:1]([C:2]([C:3]([H:79])([H:80])[H:81])=[C:4]([C:5]([C:6]([C@@:7]([C:8]([H:82])([H:83])[H:84])([C@@:9]1([H:85])[C:10]([H:86])([H:87])[C:11]([H:88])([H:89])[C@@:12]2([C:13]([H:90])([H:91])[H:92])[C:14]3=[C:15]([C:16]([H:93])([H:94])[C:17]([H:95])([H:96])[C@:18]12[C:19]([H:97])([H:98])[H:99])[C@@:20]1([C:21]([H:100])([H:101])[H:102])[C:22]([H:103])([H:104])[C:23]([H:105])([H:106])[C@@:24]([O:25][H:107])([H:108])[C@:26]([C:27]([H:109])([H:110])[H:111])([C:28](=[O:29])[H:113])[C@:30]1([H:115])[C:31]([H:116])([H:117])[C:32]3([H:118])[H:119])[H:120])([H:121])[H:122])([H:123])[H:124])[H:125])([H:126])([H:127])[H:128].[N:33]([C:34](=[O:35])[C:36]1:[C:37]([H:129]):[N+:38]([C@:39]2([H:130])[O:40][C@@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:131])[O:47][P:48](=[O:49])([O:50][H:132])[O:51][C:52]([C@@:53]3([H:133])[O:54][C@:55]([N:56]4:[C:57]([H:134]):[N:58]:[C:59]5:[C:60]([N:61]([H:135])[H:136]):[N:62]:[C:63]([H:137]):[N:64]:[C:65]:4:5)([H:138])[C@@:66]([O:67][H:139])([H:140])[C@@:68]3([O:69][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[C@:70]([O:71][H:148])([H:149])[C@:72]2([O:73][H:150])[H:151]):[C:74]([H:152]):[C:75]([H:153]):[C:76]:1[H:154])([H:156])[H:157].[H][O:77][H].[H][O:78][H]