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EVODEX.1-P5097

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:40]([C@:39]([C:37]([N:36]([C@@:35]([C:34]([C:33]([C:32]([C:31]([N:30]([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:48](=[O:49])[N:50]([C:51]([C:52]([N:53]([C:54]1:[C:55]([H:77]):[C:56]([H:78]):[C:57]([N+:58](=[O:59])[O:60][H:79]):[C:61]([H:80]):[C:62]:1[N+:63](=[O:64])[O:65][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:76])=[O:38])([C:41]([C:42]1:[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]([H:71]):[C:47]:1[H:72])([H:73])[H:74])[H:75])[H:66].[N:1](=[C:2]([N:3]([H:99])[H:100])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:101]):[C:14]([H:102]):[C:15]([H:103]):[C:16]([H:104]):[C:17]:1[N:18]([H:105])[H:106])[H:107])([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:108])([H:109])[H:110])([C:27](=[O:28])[O:29][H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])[H:122]>>[N:1](=[C:2]([N:3]([H:99])[H:100])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:101]):[C:14]([H:102]):[C:15]([H:103]):[C:16]([H:104]):[C:17]:1[N:18]([H:105])[H:106])[H:107])([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:108])([H:109])[H:110])([C:27](=[O:28])[N:40]([C@:39]([C:37]([N:36]([C@@:35]([C:34]([C:33]([C:32]([C:31]([N:30]([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:48](=[O:49])[N:50]([C:51]([C:52]([N:53]([C:54]1:[C:55]([H:77]):[C:56]([H:78]):[C:57]([N+:58](=[O:59])[O:60][H:79]):[C:61]([H:80]):[C:62]:1[N+:63](=[O:64])[O:65][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:76])=[O:38])([C:41]([C:42]1:[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]([H:71]):[C:47]:1[H:72])([H:73])[H:74])[H:75])[H:66])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])[H:122].[H][O:29][H:111]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E316 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:38]-[#6@:39](-[#7:40]-[#6:41]-[#6@@:43](-[#7:44](-[H:70])-[H])(-[#6:45])-[H:79])(-[#6:52])-[H:92].[#6:31](-[#6@:8])(=[#8:32])-[#8:33]-[H:121]>>[#6:31](-[#6@:8])(=[#8:32])-[#7:44](-[#6@:43](-[#6:41]-[#7:40]-[#6@@:39](-[#6:38])(-[#6:52])-[H:92])(-[#6:45])-[H:79])-[H:70].[#8:33](-[H:121])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R5868

Full Reaction Rendering

[H][N:40]([C@:39]([C:37]([N:36]([C@@:35]([C:34]([C:33]([C:32]([C:31]([N:30]([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:48](=[O:49])[N:50]([C:51]([C:52]([N:53]([C:54]1:[C:55]([H:77]):[C:56]([H:78]):[C:57]([N+:58](=[O:59])[O:60][H:79]):[C:61]([H:80]):[C:62]:1[N+:63](=[O:64])[O:65][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:76])=[O:38])([C:41]([C:42]1:[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]([H:71]):[C:47]:1[H:72])([H:73])[H:74])[H:75])[H:66].[N:1](=[C:2]([N:3]([H:99])[H:100])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:101]):[C:14]([H:102]):[C:15]([H:103]):[C:16]([H:104]):[C:17]:1[N:18]([H:105])[H:106])[H:107])([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:108])([H:109])[H:110])([C:27](=[O:28])[O:29][H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])[H:122]>>[N:1](=[C:2]([N:3]([H:99])[H:100])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:101]):[C:14]([H:102]):[C:15]([H:103]):[C:16]([H:104]):[C:17]:1[N:18]([H:105])[H:106])[H:107])([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:108])([H:109])[H:110])([C:27](=[O:28])[N:40]([C@:39]([C:37]([N:36]([C@@:35]([C:34]([C:33]([C:32]([C:31]([N:30]([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([C:48](=[O:49])[N:50]([C:51]([C:52]([N:53]([C:54]1:[C:55]([H:77]):[C:56]([H:78]):[C:57]([N+:58](=[O:59])[O:60][H:79]):[C:61]([H:80]):[C:62]:1[N+:63](=[O:64])[O:65][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:76])=[O:38])([C:41]([C:42]1:[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]([H:71]):[C:47]:1[H:72])([H:73])[H:74])[H:75])[H:66])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])[H:122].[H][O:29][H:111]