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EVODEX.1-P4746

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]2:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:2:[C:22]:1[H:36])[H:37]>>[H][N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]2:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:2:[C:22]:1[H:36])[H:37]

Derived Operators

EVODEX.1-F482 - Elemental Balance

C-7
O-2
N-2
H-10

EVODEX.1-M459 - Mass Difference

-154.07430000000002

EVODEX.1-E1298 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6](-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:12](-[#6:13])-[H:83])-[H])(-[H])-[H])(-[H])-[H]>>[#7:12](-[#6:13])(-[H:83])-[H]

EVODEX.1-C587 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:12]>>[H]-[#7:12]

EVODEX.1-N743 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:12](-[#6:13])-[H:71]>>[H]-[#7:12](-[#6:13])-[H:71]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5559

Full Reaction Rendering

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