EVODEX.1-P5351 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])[C@]([H])(C(=O)[N:15]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:69])([H:70])[H:71])([C:37](=[O:38])[O:39][H:67])[H:68])[H:66])=[O:5])([C:7]([C:8]2:[C:9]([H:41]):[C:10]([H:42]):[C:11]([O:12][H:43]):[C:13]([H:44]):[C:14]:2[H:45])([H:46])[H:47])[H:65])[H:64])C([H])([H])C2:C([H]):C([H]):C([H]):C([H]):C:2[H]):C([H]):C:1[H]>>[H][N:15]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:69])([H:70])[H:71])([C:37](=[O:38])[O:39][H:67])[H:68])[H:66])=[O:5])([C:7]([C:8]1:[C:9]([H:41]):[C:10]([H:42]):[C:11]([O:12][H:43]):[C:13]([H:44]):[C:14]:1[H:45])([H:46])[H:47])[H:65])[H:64]

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

[#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

[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

[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

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

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R6104

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:41]):[C:10]([H:42]):[C:11]([O:12][H:43]):[C:13]([H:44]):[C:14]:1[H:45])([H:46])[H:47])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])([N:26]([C:27](=[O:28])[O:29][C:30]([C:31]1:[C:32]([H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1[H:59])([H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([C:37](=[O:38])[O:39][H:67])[H:68])([H:69])([H:70])[H:71].[H][O:40][H:72]>>[C:16](=[O:17])([C@:18]([C:19]([C:20]1:[C:21]([H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]([H:51]):[C:25]:1[H:52])([H:53])[H:54])([N:26]([C:27](=[O:28])[O:29][C:30]([C:31]1:[C:32]([H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1[H:59])([H:60])[H:61])[H:62])[H:63])[O:40][H:72].[H][N:15]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:69])([H:70])[H:71])([C:37](=[O:38])[O:39][H:67])[H:68])[H:66])=[O:5])([C:7]([C:8]1:[C:9]([H:41]):[C:10]([H:42]):[C:11]([O:12][H:43]):[C:13]([H:44]):[C:14]:1[H:45])([H:46])[H:47])[H:65])[H:64]