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EVODEX.1-P5397

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])[C@]([H])(C(=O)[N:13]([C@:5]([C:3]([O:2][C:1]([H:61])([H:62])[H:63])=[O:4])([C:6]([C:7]2:[C:8]([H:36]):[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]:2[H:40])([H:41])[H:42])[H:60])[H:59])C([H])([H])C2:C([H]):C([H]):C([H]):C([H]):C:2[H]):C([H]):C:1[H]>>[H][N:13]([C@:5]([C:3]([O:2][C:1]([H:61])([H:62])[H:63])=[O:4])([C:6]([C:7]1:[C:8]([H:36]):[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]:1[H:40])([H:41])[H:42])[H:60])[H:59]

Derived Operators

EVODEX.1-F503 - Elemental Balance

O-3
C-17
N-1
H-15

EVODEX.1-M476 - Mass Difference

-281.10525

EVODEX.1-E1321 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:13](-[#6@:5])(-[#6](=[#8])-[#6@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H:59]>>[#7:13](-[#6@:5])(-[H:59])-[H]

EVODEX.1-C614 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:13])-[#6](-[H])(-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:2-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N769 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:13](-[#6@:5])-[H:59])-[#6](-[H])(-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:2-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@:5])-[H:59]

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-R6148

Full Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C@:5]([C:6]([C:7]1:[C:8]([H:36]):[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]:1[H:40])([H:41])[H:42])([N:13]([C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:43]):[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]:1[H:47])([H:48])[H:49])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:50]):[C:31]([H:51]):[C:32]([H:52]):[C:33]([H:53]):[C:34]:1[H:54])([H:55])[H:56])[H:57])[H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:35][H:64]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:43]):[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]:1[H:47])([H:48])[H:49])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:50]):[C:31]([H:51]):[C:32]([H:52]):[C:33]([H:53]):[C:34]:1[H:54])([H:55])[H:56])[H:57])[H:58])[O:35][H:64].[H][N:13]([C@:5]([C:3]([O:2][C:1]([H:61])([H:62])[H:63])=[O:4])([C:6]([C:7]1:[C:8]([H:36]):[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]:1[H:40])([H:41])[H:42])[H:60])[H:59]