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EVODEX.1-P2293

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E330 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#8:7]-[H].[#8:49]1-[#6@@:48]-[#6@:67](-[#6@@:65](-[#6@:50]-1(-[#6:51])-[#8:53]-[#6@@:54](-[H:115])(-[#8:55])-[#6@:63])(-[#8:66])-[H:127])(-[#8:68])-[H:129]>>[#6:6]-[#8:7]-[#6@@:50]1(-[#6:51])-[#8:49]-[#6@@:48]-[#6@:67](-[#8:68])(-[H:129])-[#6@@:65]-1(-[#8:66])-[H:127].[#8:53](-[#6:54](-[H:115])(-[#8:55])-[#6@:63])-[H]

EVODEX.1-C1062 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:7].[#6@:44]-[#6@@:42]).[#8:53](-[#6@@:50]-[#6@:65]-[#6@@:67])-[#6@@:54]>>([#8:7]-[#6@@:50]-[#6@@:65]-[#6@:67].[#6@:42]-[#6@@:44]).[H]-[#8:53]-[#6:54]

EVODEX.1-N1548 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:14]1-[#6@@:13]-[#6@:32](-[#6@@:30](-[#6@:15]-1(-[#6:16])-[#8:18]-[#6@@:19](-[H:38])(-[#8:20])-[#6@:28])(-[#8:31])-[H:50])(-[#8:33])-[H:52].[H]-[#8:6]-[#6:5]-[#6@@:7](-[#6@@:9](-[#6@@:3])(-[#8:10])-[H:62])(-[#8:8])-[H:60]>>[H]-[#8:18]-[#6:19](-[H:38])(-[#8:20])-[#6@:28].[#6:5](-[#8:6]-[#6@@:15]1(-[#6:16])-[#8:14]-[#6@@:13]-[#6@:32](-[#8:33])(-[H:52])-[#6@@:30]-1(-[#8:31])-[H:50])-[#6@@:7](-[#8:8])(-[H:60])-[#6@@:9](-[#6@@:3])(-[#8:10])-[H:62]

EVODEX.1-Em491 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:7]-[#6:6].[#8:49]-[#6:50](-[#6:51])(-[#8:53]-[#6:54])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65].[H]-[#8:53]-[#6:54]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm442 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:7]-[#6:6].[#8:49]-[#6:50](-[#6:51])(-[#8:53]-[#6:54])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65].[H]-[#8:53]-[#6:54]

Source Full Reactions

EVODEX.1-R3022

Full Reaction Rendering

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