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EVODEX.1-P4997

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)[N:10]([C:9]1:[C:8]([H:35]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:34]):[C:2]([C:1]([H:56])([H:57])[H:58]):[C:32]:2:[C:31]([H:55]):[C:30]:1[H:54])[H:53])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:10]([C:9]1:[C:8]([H:35]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:34]):[C:2]([C:1]([H:56])([H:57])[H:58]):[C:32]:2:[C:31]([H:55]):[C:30]:1[H:54])[H:53]

Derived Operators

EVODEX.1-F491 - Elemental Balance

O-2
C-13
N-4
H-16

EVODEX.1-M466 - Mass Difference

-260.12748

EVODEX.1-E1309 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#7:16](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[H:59]>>[#6:15]-[#7:16](-[H:59])-[H]

EVODEX.1-C588 - 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])-[#7:13])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N744 - 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])-[#7:13](-[#6:12])-[H:56])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6:12])-[H:56]

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-R5778

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:34]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:35]):[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:36])[N:20]([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([N:21]([C:22](=[O:23])[C:24]3:[C:25]([H:46]):[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]:3[H:50])[H:51])[H:52])[H:53]):[C:30]([H:54]):[C:31]([H:55]):[C:32]:1:2)([H:56])([H:57])[H:58].[H][O:33][H:59]>>[C:11](=[O:12])([C@:13]([C:14]([C:15]([C:16]([N:17]([C:18](=[N:19][H:36])[N:20]([H:37])[H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([N:21]([C:22](=[O:23])[C:24]1:[C:25]([H:46]):[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]:1[H:50])[H:51])[H:52])[O:33][H:59].[H][N:10]([C:9]1:[C:8]([H:35]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:34]):[C:2]([C:1]([H:56])([H:57])[H:58]):[C:32]:2:[C:31]([H:55]):[C:30]:1[H:54])[H:53]