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EVODEX.1-P4748

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]([N:3]([H:31])[H:32])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])[H:38])([C:18](=[O:19])[N:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52]>>[H][N:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43].[H]O[C:18]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:52])[N:3]([H:31])[H:32])[H:51])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])[H:38])[H:44])=[O:19]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E394 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8]-[H])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]

EVODEX.1-C589 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#6:60]-[#7:62]>>[H]-[#8]-[#6:60]-[#6@:5].[H]-[#7:62]

EVODEX.1-N745 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#7:6])(-[#6:60](=[#8:61])-[#7:62](-[#6@@:63])-[H:255])-[H:256]>>[H]-[#8]-[#6:60](-[#6@:5](-[#6:4])(-[#7:6])-[H:256])=[#8:61].[H]-[#7:62](-[#6@@:63])-[H:255]

EVODEX.1-Em50 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]-[#6:5]>>[H]-[#7:4].[#8]-[#6:5]

EVODEX.1-Nm48 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]

Source Full Reactions

EVODEX.1-R5560

Full Reaction Rendering

[N:1](=[C:2]([N:3]([H:31])[H:32])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])[H:38])([C:18](=[O:19])[N:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52].[H][O:30][H:53]>>[H][N:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:41]):[C:29]:1[H:42])[H:43].[N:1](=[C:2]([N:3]([H:31])[H:32])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([H:35]):[C:16]([H:36]):[C:17]:1[H:37])[H:38])([C:18](=[O:19])[O:30][H:53])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52]