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EVODEX.1-P89

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:22]([C@:20]1([O:21][H:94])[C@@:15]2([C:16]([H:86])([H:87])[H:88])[C:14]([H:84])([H:85])[C:13]([H:82])([H:83])[C@:12]3([H:81])[C@@:2]4([C:1]([H:98])([H:99])[H:100])[C:3]([H:71])([H:72])[C:4]([H:73])([H:74])[C:5](=[O:6])[C:7]([H:75])=[C:8]4[C:9]([H:76])([H:77])[C:10]([H:78])([H:79])[C@@:11]3([H:80])[C@:17]2([H:89])[C:18]([H:90])([H:91])[C:19]1([H:92])[H:93])([O:23][H])[C:24](=[O:25])[O:26][H:96]>>[C:1]([C@:2]12[C:3]([H:71])([H:72])[C:4]([H:73])([H:74])[C:5](=[O:6])[C:7]([H:75])=[C:8]1[C:9]([H:76])([H:77])[C:10]([H:78])([H:79])[C@:11]1([H:80])[C@:12]2([H:81])[C:13]([H:82])([H:83])[C:14]([H:84])([H:85])[C@@:15]2([C:16]([H:86])([H:87])[H:88])[C@@:17]1([H:89])[C:18]([H:90])([H:91])[C:19]([H:92])([H:93])[C@:20]2([O:21][H:94])[C:22](=[O:23])[C:24](=[O:25])[O:26][H:96])([H:98])([H:99])[H:100]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-C1178 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6@:22]-[#8:23]-[H].[#6@@:2].[#6@@:11]-[#6@:17])>>([#6:22]=[#8:23].[#6@:2].[#6@:11]-[#6@@:17])

EVODEX.1-N1459 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:22](-[#6@:20]-[#6@@:15]-[#6@@:17](-[#6@@:11](-[#6@:12]-[#6@@:2](-[#6:1])(-[#6:3])-[#6:8])(-[#6:10])-[H:80])(-[H:89])-[#6:18])(-[#8:23]-[H])-[#6:24]>>[#6:1]-[#6@:2](-[#6:3])(-[#6:8])-[#6@:12]-[#6@:11](-[#6:10])(-[H:80])-[#6@:17](-[#6@@:15]-[#6@:20]-[#6:22](=[#8:23])-[#6:24])(-[H:89])-[#6:18]

EVODEX.1-Em164 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])(-[#8:4]-[H])-[#6:5]>>[#8:1]=[#6:2]-[#6:3](=[#8:4])-[#6:5]

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:50]-[#8:51]-[H]>>[#6:50]=[#8:51]

EVODEX.1-Nm68 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])(-[#8:4]-[H])-[#6:5]>>[#6:2]-[#6:3](=[#8:4])-[#6:5]

Source Full Reactions

EVODEX.1-R119

Full Reaction Rendering

[H][C@:22]([C@:20]1([O:21][H:94])[C@@:15]2([C:16]([H:86])([H:87])[H:88])[C:14]([H:84])([H:85])[C:13]([H:82])([H:83])[C@:12]3([H:81])[C@@:2]4([C:1]([H:98])([H:99])[H:100])[C:3]([H:71])([H:72])[C:4]([H:73])([H:74])[C:5](=[O:6])[C:7]([H:75])=[C:8]4[C:9]([H:76])([H:77])[C:10]([H:78])([H:79])[C@@:11]3([H:80])[C@:17]2([H:89])[C:18]([H:90])([H:91])[C:19]1([H:92])[H:93])([O:23][H])[C:24](=[O:25])[O:26][H:96].[N:27]([C:28](=[O:29])[C:30]1:[C:31]([H:101]):[C:32]([H:102]):[C:33]([H:103]):[N+:34]([C@:35]2([H:104])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:105])[O:43][P:44](=[O:45])([O:46][H:106])[O:47][C:48]([C@@:49]3([H:107])[O:50][C@:51]([N:52]4:[C:53]([H:108]):[N:54]:[C:55]5:[C:56]([N:57]([H:109])[H:110]):[N:58]:[C:59]([H:111]):[N:60]:[C:61]:4:5)([H:112])[C@@:62]([O:63][H:113])([H:114])[C@@:64]3([O:65][H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[C@:66]([O:67][H:122])([H:123])[C@:68]2([O:69][H:124])[H:125]):[C:70]:1[H:126])([H:127])[H:128]>>[C:1]([C@:2]12[C:3]([H:71])([H:72])[C:4]([H:73])([H:74])[C:5](=[O:6])[C:7]([H:75])=[C:8]1[C:9]([H:76])([H:77])[C:10]([H:78])([H:79])[C@:11]1([H:80])[C@:12]2([H:81])[C:13]([H:82])([H:83])[C:14]([H:84])([H:85])[C@@:15]2([C:16]([H:86])([H:87])[H:88])[C@@:17]1([H:89])[C:18]([H:90])([H:91])[C:19]([H:92])([H:93])[C@:20]2([O:21][H:94])[C:22](=[O:23])[C:24](=[O:25])[O:26][H:96])([H:98])([H:99])[H:100].[HH].[H][C:31]1([H:101])[C:30]([C:28]([N:27]([H:127])[H:128])=[O:29])=[C:70]([H:126])[N:34]([C@:35]2([H:104])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:105])[O:43][P:44](=[O:45])([O:46][H:106])[O:47][C:48]([C@@:49]3([H:107])[O:50][C@:51]([N:52]4:[C:53]([H:108]):[N:54]:[C:55]5:[C:56]([N:57]([H:109])[H:110]):[N:58]:[C:59]([H:111]):[N:60]:[C:61]:4:5)([H:112])[C@@:62]([O:63][H:113])([H:114])[C@@:64]3([O:65][H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[C@:66]([O:67][H:122])([H:123])[C@:68]2([O:69][H:124])[H:125])[C:33]([H:103])=[C:32]1[H:102]