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EVODEX.1-P530

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:14]1([H:92])[C@@:13]2([H:91])[C@:12]3([H:90])[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:124])([H:125])[H:126])([C:3]([H:79])([H:80])[H:81])[H:123])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([C:8]([H:82])([H:83])[H:84])[H:116])([H:85])[C@@:27]3([C:28]([H:113])([H:114])[H:115])[C:26]([H:111])([H:112])[C:25]([H:109])([H:110])[C@:24]2([H:108])[C@:22]2([C:23]([H:105])([H:106])[H:107])[C@@:16]([H:96])([C:15]1([H:94])[H:95])[C:17]([H:97])([H:98])[C@:18]([O:19][H:99])([H:100])[C:20]([H:101])([H:102])[C:21]2([H:103])[H:104].O=[O:77]>>[H][O:77][C@@:14]1([H:92])[C@@:13]2([H:91])[C@:12]3([H:90])[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:124])([H:125])[H:126])([C:3]([H:79])([H:80])[H:81])[H:123])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([C:8]([H:82])([H:83])[H:84])[H:116])([H:85])[C@@:27]3([C:28]([H:113])([H:114])[H:115])[C:26]([H:111])([H:112])[C:25]([H:109])([H:110])[C@:24]2([H:108])[C@:22]2([C:23]([H:105])([H:106])[H:107])[C@@:16]([H:96])([C:15]1([H:94])[H:95])[C:17]([H:97])([H:98])[C@:18]([O:19][H:99])([H:100])[C:20]([H:101])([H:102])[C:21]2([H:103])[H:104]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E436 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](-[H:80])(-[H])-[#6:9].[#8:70]=[#8]>>[#6:7]-[#6@:8](-[#8:70]-[H])(-[H:80])-[#6:9]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6@:2]

EVODEX.1-N163 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[H:115])(-[#6:3])-[#6@@:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[H:115])(-[#6:3])-[#6@@:26]

EVODEX.1-Em245 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#6:3])-[#6:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[#6:3])-[#6:26]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm243 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#6:3])-[#6:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[#6:3])-[#6:26]

Source Full Reactions

EVODEX.1-R506

Full Reaction Rendering

[H][C:14]1([H:92])[C@@:13]2([H:91])[C@:12]3([H:90])[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:124])([H:125])[H:126])([C:3]([H:79])([H:80])[H:81])[H:123])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([C:8]([H:82])([H:83])[H:84])[H:116])([H:85])[C@@:27]3([C:28]([H:113])([H:114])[H:115])[C:26]([H:111])([H:112])[C:25]([H:109])([H:110])[C@:24]2([H:108])[C@:22]2([C:23]([H:105])([H:106])[H:107])[C@@:16]([H:96])([C:15]1([H:94])[H:95])[C:17]([H:97])([H:98])[C@:18]([O:19][H:99])([H:100])[C:20]([H:101])([H:102])[C:21]2([H:103])[H:104].[HH].[H][C:76]1([H:153])[C:32]([C:30]([N:29]([H:155])[H:156])=[O:31])=[C:33]([H:127])[N:34]([C@:35]2([H:128])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:129])[O:43][P:44](=[O:45])([O:46][H:130])[O:47][C:48]([C@@:49]3([H:131])[O:50][C@:51]([N:52]4:[C:53]([H:132]):[N:54]:[C:55]5:[C:56]([N:57]([H:133])[H:134]):[N:58]:[C:59]([H:135]):[N:60]:[C:61]:4:5)([H:136])[C@@:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][H:138])([H:139])[C@@:68]3([O:69][H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[C@:70]([O:71][H:147])([H:148])[C@:72]2([O:73][H:149])[H:150])[C:74]([H:151])=[C:75]1[H:152].[O:77]=[O:78]>>[H][O:77][C@@:14]1([H:92])[C@@:13]2([H:91])[C@:12]3([H:90])[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:124])([H:125])[H:126])([C:3]([H:79])([H:80])[H:81])[H:123])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([C:8]([H:82])([H:83])[H:84])[H:116])([H:85])[C@@:27]3([C:28]([H:113])([H:114])[H:115])[C:26]([H:111])([H:112])[C:25]([H:109])([H:110])[C@:24]2([H:108])[C@:22]2([C:23]([H:105])([H:106])[H:107])[C@@:16]([H:96])([C:15]1([H:94])[H:95])[C:17]([H:97])([H:98])[C@:18]([O:19][H:99])([H:100])[C:20]([H:101])([H:102])[C:21]2([H:103])[H:104].[N:29]([C:30](=[O:31])[C:32]1:[C:33]([H:127]):[N+:34]([C@:35]2([H:128])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:129])[O:43][P:44](=[O:45])([O:46][H:130])[O:47][C:48]([C@@:49]3([H:131])[O:50][C@:51]([N:52]4:[C:53]([H:132]):[N:54]:[C:55]5:[C:56]([N:57]([H:133])[H:134]):[N:58]:[C:59]([H:135]):[N:60]:[C:61]:4:5)([H:136])[C@@:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][H:138])([H:139])[C@@:68]3([O:69][H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[C@:70]([O:71][H:147])([H:148])[C@:72]2([O:73][H:149])[H:150]):[C:74]([H:151]):[C:75]([H:152]):[C:76]:1[H:153])([H:155])[H:156].[H][O:78][H]