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EVODEX.1-P5290

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:14]([C@:6]([C:4]([O:3][C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])=[O:5])([C:7]([C:8]2:[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]([H:40]):[C:13]:2[H:41])([H:42])[H:43])[H:61])[H:60])C([H])([H])C2:C([H]):C([H]):C([H]):C([H]):C:2[H]):C([H]):C:1[H]>>[H][N:14]([C@:6]([C:4]([O:3][C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])=[O:5])([C:7]([C:8]1:[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]([H:40]):[C:13]:1[H:41])([H:42])[H:43])[H:61])[H:60]

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-R6049

Full Reaction Rendering

[C:1]([C:2]([O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]([H:40]):[C:13]:1[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[C@:17]([C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])([N:25]([C:26](=[O:27])[O:28][C:29]([C:30]1:[C:31]([H:51]):[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]:1[H:55])([H:56])[H:57])[H:58])[H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:36][H:67]>>[C:15](=[O:16])([C@:17]([C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])([N:25]([C:26](=[O:27])[O:28][C:29]([C:30]1:[C:31]([H:51]):[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]:1[H:55])([H:56])[H:57])[H:58])[H:59])[O:36][H:67].[H][N:14]([C@:6]([C:4]([O:3][C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])=[O:5])([C:7]([C:8]1:[C:9]([H:37]):[C:10]([H:38]):[C:11]([H:39]):[C:12]([H:40]):[C:13]:1[H:41])([H:42])[H:43])[H:61])[H:60]