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EVODEX.1-P5100

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:32]([C:31]([C:30]([N:29]([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([C:47](=[O:48])[N:49]([C:50]([C:51]([N:52]([C:53]1:[C:54]([H:76]):[C:55]([H:77]):[C:56]([N+:57](=[O:58])[O:59][H:78]):[C:60]([H:79]):[C:61]:1[N+:62](=[O:63])[O:64][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:75])=[O:37])([C:40]([C:41]1:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:1[H:71])([H:72])[H:73])[H:74])[H:65].[N:1](=[C:2]([N:3]([H:98])[H:99])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:100]):[C:14]([H:101]):[C:15]([H:102]):[C:16]([H:103]):[C:17]:1[N:18]([H:104])[H:105])[H:106])([C:19](=[O:20])[N:21]1[C:22]([H:107])([H:108])[C:23]([H:109])([H:110])[C:24]([H:111])([H:112])[C@:25]1([C:26](=[O:27])[O:28][H:113])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])[H:123]>>[N:1](=[C:2]([N:3]([H:98])[H:99])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:100]):[C:14]([H:101]):[C:15]([H:102]):[C:16]([H:103]):[C:17]:1[N:18]([H:104])[H:105])[H:106])([C:19](=[O:20])[N:21]1[C:22]([H:107])([H:108])[C:23]([H:109])([H:110])[C:24]([H:111])([H:112])[C@:25]1([C:26](=[O:27])[N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:32]([C:31]([C:30]([N:29]([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([C:47](=[O:48])[N:49]([C:50]([C:51]([N:52]([C:53]1:[C:54]([H:76]):[C:55]([H:77]):[C:56]([N+:57](=[O:58])[O:59][H:78]):[C:60]([H:79]):[C:61]:1[N+:62](=[O:63])[O:64][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:75])=[O:37])([C:40]([C:41]1:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:1[H:71])([H:72])[H:73])[H:74])[H:65])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])[H:123].[H][O:28][H:113]

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-R5871

Full Reaction Rendering

[H][N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:32]([C:31]([C:30]([N:29]([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([C:47](=[O:48])[N:49]([C:50]([C:51]([N:52]([C:53]1:[C:54]([H:76]):[C:55]([H:77]):[C:56]([N+:57](=[O:58])[O:59][H:78]):[C:60]([H:79]):[C:61]:1[N+:62](=[O:63])[O:64][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:75])=[O:37])([C:40]([C:41]1:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:1[H:71])([H:72])[H:73])[H:74])[H:65].[N:1](=[C:2]([N:3]([H:98])[H:99])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:100]):[C:14]([H:101]):[C:15]([H:102]):[C:16]([H:103]):[C:17]:1[N:18]([H:104])[H:105])[H:106])([C:19](=[O:20])[N:21]1[C:22]([H:107])([H:108])[C:23]([H:109])([H:110])[C:24]([H:111])([H:112])[C@:25]1([C:26](=[O:27])[O:28][H:113])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])[H:123]>>[N:1](=[C:2]([N:3]([H:98])[H:99])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:100]):[C:14]([H:101]):[C:15]([H:102]):[C:16]([H:103]):[C:17]:1[N:18]([H:104])[H:105])[H:106])([C:19](=[O:20])[N:21]1[C:22]([H:107])([H:108])[C:23]([H:109])([H:110])[C:24]([H:111])([H:112])[C@:25]1([C:26](=[O:27])[N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:32]([C:31]([C:30]([N:29]([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([C:47](=[O:48])[N:49]([C:50]([C:51]([N:52]([C:53]1:[C:54]([H:76]):[C:55]([H:77]):[C:56]([N+:57](=[O:58])[O:59][H:78]):[C:60]([H:79]):[C:61]:1[N+:62](=[O:63])[O:64][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])[H:87])[H:75])=[O:37])([C:40]([C:41]1:[C:42]([H:67]):[C:43]([H:68]):[C:44]([H:69]):[C:45]([H:70]):[C:46]:1[H:71])([H:72])[H:73])[H:74])[H:65])[H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])[H:123].[H][O:28][H:113]