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EVODEX.1-P6816

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([O:2][H:45])[H:46].[H]O[C:35](=[O:34])[C:37]([O:38][C:39]1:[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]([H:68]):[C:44]:1[H:69])([H:70])[H:71]>>[N:1]([O:2][H:45])([C:35](=[O:34])[C:37]([O:38][C:39]1:[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]([H:68]):[C:44]:1[H:69])([H:70])[H:71])[H:46]

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E493 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14](-[#6@:3])(=[#8:15])-[#8]-[H].[#7:17](-[#8:18])(-[H:67])-[H]>>[#6:14](-[#6@:3])(=[#8:15])-[#7:17](-[#8:18])-[H:67]

EVODEX.1-C16 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1].[H]-[#8]-[#6:16]>>[#7:1]-[#6:16]

EVODEX.1-N853 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:11](-[#8:12])-[H:45].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11](-[#8:12])-[H:45]

EVODEX.1-Em667 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]

EVODEX.1-Cm19 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#6:42].[H]-[#7:47]>>[#6:42]-[#7:47]

EVODEX.1-Nm600 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]

Source Full Reactions

EVODEX.1-R7423

Full Reaction Rendering

[H][N:1]([O:2][H:45])[H:46].[N:3]([C:4]1:[N:5]:[C:6]([H:48]):[N:7]:[C:8]2:[C:9]:1:[N:10]:[C:11]([H:49]):[N:12]:2[C@:13]1([H:50])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:51])[O:21][P:22](=[O:23])([O:24][H:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@:32]1([O:33][H:60])[H:61])([H:62])[H:63].[O:34]=[C:35]([O:36][H:64])[C:37]([O:38][C:39]1:[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]([H:68]):[C:44]:1[H:69])([H:70])[H:71]>>[N:3]([C:4]1:[N:5]:[C:6]([H:48]):[N:7]:[C:8]2:[C:9]:1:[N:10]:[C:11]([H:49]):[N:12]:2[C@:13]1([H:50])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:51])[O:36][H:64])([H:55])[H:56])([H:57])[C@:30]([O:31][H:58])([H:59])[C@:32]1([O:33][H:60])[H:61])([H:62])[H:63].[N:1]([O:2][H:45])([C:35](=[O:34])[C:37]([O:38][C:39]1:[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]([H:68]):[C:44]:1[H:69])([H:70])[H:71])[H:46].[H][O:21][P:22](=[O:23])([O:24][H:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54]