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EVODEX.1-P5071

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:7]([C:6]([C:4]([N:3]([C@@:2]([C:1]([H:99])([H:100])[H:101])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:78])[H:79])=[O:20])([H:80])[H:81])([H:82])[H:83])([C:21](=[O:22])[N:23]([C:24]([C:25]([N:26]([C:27]1:[C:28]([H:84]):[C:29]([H:85]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:86]):[C:35]:1[N+:36](=[O:37])[O-:38])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[H:77])=[O:5])([H:75])[H:76])[H:73]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:7]([C:6]([C:4]([N:3]([C@@:2]([C:1]([H:99])([H:100])[H:101])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:78])[H:79])=[O:20])([H:80])[H:81])([H:82])[H:83])([C:21](=[O:22])[N:23]([C:24]([C:25]([N:26]([C:27]1:[C:28]([H:84]):[C:29]([H:85]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:86]):[C:35]:1[N+:36](=[O:37])[O-:38])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[H:77])=[O:5])([H:75])[H:76])[H:73])N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])[H]

Derived Operators

EVODEX.1-F520 - Elemental Balance

O5
C20
N8
H28

EVODEX.1-M493 - Mass Difference

460.21854

EVODEX.1-E1338 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:35](-[#6:36])(-[H:141])-[H]>>[#6](-[#6@](-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7:35](-[#6:36])-[H:141])-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C636 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:35]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:35])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N791 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:35](-[#6:36])-[H:137]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:35](-[#6:36])-[H:137])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R5844

Full Reaction Rendering

[H][N:7]([C:6]([C:4]([N:3]([C@@:2]([C:1]([H:99])([H:100])[H:101])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:78])[H:79])=[O:20])([H:80])[H:81])([H:82])[H:83])([C:21](=[O:22])[N:23]([C:24]([C:25]([N:26]([C:27]1:[C:28]([H:84]):[C:29]([H:85]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:86]):[C:35]:1[N+:36](=[O:37])[O-:38])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[H:77])=[O:5])([H:75])[H:76])[H:73].[C:39]([C@:40]([N:41]([C:42](=[O:43])[C:44]1:[C:45]([H:102]):[C:46]([H:103]):[C:47]([H:104]):[C:48]([H:105]):[C:49]:1[N:50]([H:106])[H:107])[H:108])([C:51](=[O:52])[N:53]([C:54]([C:55](=[O:56])[N:57]([C:58]([C:59](=[O:60])[N:61]([C@@:62]([C:63]([C:64]([C:65]([N:66]([C:67](=[N:68][H:109])[N:69]([H:110])[H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([C:70](=[O:71])[O:72][H:119])[H:120])[H:121])([H:122])[H:123])[H:124])([H:125])[H:126])[H:127])[H:128])([H:129])([H:130])[H:131]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C:6]([N:7]([C:70]([C@@:62]([N:61]([C:59]([C:58]([N:57]([C:55]([C:54]([N:53]([C:51]([C@:40]([C:39]([H:129])([H:130])[H:131])([N:41]([C:42](=[O:43])[C:44]1:[C:45]([H:102]):[C:46]([H:103]):[C:47]([H:104]):[C:48]([H:105]):[C:49]:1[N:50]([H:106])[H:107])[H:108])[H:128])=[O:52])[H:127])([H:125])[H:126])=[O:56])[H:124])([H:122])[H:123])=[O:60])[H:121])([C:63]([C:64]([C:65]([N:66]([C:67](=[N:68][H:109])[N:69]([H:110])[H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:120])=[O:71])[H:73])([H:75])[H:76])[H:77])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:78])[H:79])=[O:20])([H:80])[H:81])([H:82])[H:83])([C:21](=[O:22])[N:23]([C:24]([C:25]([N:26]([C:27]1:[C:28]([H:84]):[C:29]([H:85]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:86]):[C:35]:1[N+:36](=[O:37])[O-:38])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][O:72][H:119]