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EVODEX.1-P4897

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C(=O)N([H])C([H])([H])C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:46])[N:3]([H:26])[H:27])[H:45])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([C:22](=[O:23])[O:24][H:37])[H:38])[H:36]):C([H]):C:1[H]>>[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:46])[N:3]([H:26])[H:27])[H:45])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([C:22](=[O:23])[O:24][H:37])[H:38])[H:36]

Derived Operators

EVODEX.1-F244 - Elemental Balance

C-9
O-2
N-1
H-7

EVODEX.1-M301 - Mass Difference

-161.04771

EVODEX.1-E968 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])(-[H])-[H])-[H:37]>>[#7:3](-[#6@:2])(-[H:37])-[H]

EVODEX.1-C605 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N762 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6@@:7])-[H:33]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8](-[#6@@:7])-[H:33]

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-R5687

Full Reaction Rendering

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