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EVODEX.1-P4664

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:13]([C:12]2:[C:11]([H:30]):[C:10]3:[O:9]:[C:7](=[O:8]):[C:6]([H:29]):[C:5]([C:4]([C:2]([N:1]([H:46])[H:47])=[O:3])([H:44])[H:45]):[C:27]:3:[C:26]([H:43]):[C:25]:2[H:42])[H:41])N([H])[H]):C([H]):C:1[H]>>[H][N:13]([C:12]1:[C:11]([H:30]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:29]):[C:5]([C:4]([C:2]([N:1]([H:46])[H:47])=[O:3])([H:44])[H:45]):[C:27]:2:[C:26]([H:43]):[C:25]:1[H:42])[H:41]

Derived Operators

EVODEX.1-F197 - Elemental Balance

O-1
C-9
N-1
H-9

EVODEX.1-M177 - Mass Difference

-147.06847

EVODEX.1-E897 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:22](-[#6@:14])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:68]>>[#7:22](-[#6@:14])(-[H:68])-[H]

EVODEX.1-C560 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N713 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:61])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:12](-[#6@@:13])-[H:61]

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-R5484

Full Reaction Rendering

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