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EVODEX.1-P4665

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:10](=[O:11])[C@@:12]([N:13]([H:25])[H:26])([C:14]([C:15]([C:16]([C:17]([N:18]([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]>>[H]O[C:10](=[O:11])[C@@:12]([N:13]([H:25])[H:26])([C:14]([C:15]([C:16]([C:17]([N:18]([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]

Derived Operators

EVODEX.1-F468 - Elemental Balance

O-1
C-6
N-4
H-12

EVODEX.1-M80 - Mass Difference

-156.10126

EVODEX.1-E1281 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H]

EVODEX.1-C573 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10]>>[H]-[#8]-[#6:10]

EVODEX.1-N728 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10](=[#8:11])-[#6@:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6@:12]

EVODEX.1-Em3 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm3 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

Source Full Reactions

EVODEX.1-R5485

Full Reaction Rendering

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