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EVODEX.1-P705

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:45]=[C:46]([O:47][H:87])[C:48]1:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([N+:53](=[O:54])[O-:55]):[C:56]:1[O:57][H:91]>>[H][C:46](=[O:45])[C:48]1:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([N+:53](=[O:54])[O-:55]):[C:56]:1[O:57][H:91].[H][O:47][H:87]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E6 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:16]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:9](-[H:16])-[H]

EVODEX.1-C229 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:10]-[#8:12]>>[H]-[#6:10].[H]-[#8:12]

EVODEX.1-N212 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]-[H:20]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]-[H:20]

EVODEX.1-Em305 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]

EVODEX.1-Cm213 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]-[#8:12]>>[H]-[#6:10].[H]-[#8:12]

EVODEX.1-Nm298 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]

Source Full Reactions

EVODEX.1-R660

Full Reaction Rendering

[HH].[H][C:44]1([H:83])[C:4]([C:2]([N:1]([H:85])[H:86])=[O:3])=[C:5]([H:58])[N:6]([C@:7]2([H:59])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:60])[O:15][P:16](=[O:17])([O:18][H:61])[O:19][C:20]([C@@:21]3([H:62])[O:22][C@:23]([N:24]4:[C:25]([H:63]):[N:26]:[C:27]5:[C:28]([N:29]([H:64])[H:65]):[N:30]:[C:31]([H:66]):[N:32]:[C:33]:4:5)([H:67])[C@@:34]([O:35][H:68])([H:69])[C@@:36]3([O:37][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:38]([O:39][H:77])([H:78])[C@:40]2([O:41][H:79])[H:80])[C:42]([H:81])=[C:43]1[H:82].[O:45]=[C:46]([O:47][H:87])[C:48]1:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([N+:53](=[O:54])[O-:55]):[C:56]:1[O:57][H:91]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:58]):[N+:6]([C@:7]2([H:59])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:60])[O:15][P:16](=[O:17])([O:18][H:61])[O:19][C:20]([C@@:21]3([H:62])[O:22][C@:23]([N:24]4:[C:25]([H:63]):[N:26]:[C:27]5:[C:28]([N:29]([H:64])[H:65]):[N:30]:[C:31]([H:66]):[N:32]:[C:33]:4:5)([H:67])[C@@:34]([O:35][H:68])([H:69])[C@@:36]3([O:37][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:38]([O:39][H:77])([H:78])[C@:40]2([O:41][H:79])[H:80]):[C:42]([H:81]):[C:43]([H:82]):[C:44]:1[H:83])([H:85])[H:86].[H][C:46](=[O:45])[C:48]1:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([N+:53](=[O:54])[O-:55]):[C:56]:1[O:57][H:91].[H][O:47][H:87]