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EVODEX.1-P2448

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[P:2]([O:3][H:43])([O:4][H:44])[O:5][C@@:6]1([H:45])[O:7][C:8]([H:46])([H:47])[C@:9]([O:10][H:48])([H:49])[C@@:11]([O:12][H:50])([H:51])[C@:13]1([O:14][H:52])[H:53].[H][O:42][C@@:41]1([H:78])[C@@:16]([O:15][H:79])([H:54])[C@:17]([O:18][H:55])([H:56])[C@@:19]([O:20][C@:21]2([H:57])[C:22]([H:58])([H:59])[O:23][C@:24]([O:25][C@:26]3([H:60])[C:27]([H:61])([H:62])[O:28][C@:29]([O:30][H:63])([H:64])[C@@:31]([O:32][H:65])([H:66])[C@:33]3([O:34][H:67])[H:68])([H:69])[C@@:35]([O:36][H:70])([H:71])[C@:37]2([O:38][H:72])[H:73])([H:74])[O:39][C:40]1([H:75])[H:76]>>[C@@:6]1([O:42][C@@:41]2([H:78])[C@@:16]([O:15][H:79])([H:54])[C@:17]([O:18][H:55])([H:56])[C@@:19]([O:20][C@:21]3([H:57])[C:22]([H:58])([H:59])[O:23][C@:24]([O:25][C@:26]4([H:60])[C:27]([H:61])([H:62])[O:28][C@:29]([O:30][H:63])([H:64])[C@@:31]([O:32][H:65])([H:66])[C@:33]4([O:34][H:67])[H:68])([H:69])[C@@:35]([O:36][H:70])([H:71])[C@:37]3([O:38][H:72])[H:73])([H:74])[O:39][C:40]2([H:75])[H:76])([H:45])[O:7][C:8]([H:46])([H:47])[C@:9]([O:10][H:48])([H:49])[C@@:11]([O:12][H:50])([H:51])[C@:13]1([O:14][H:52])[H:53].[H][O:5][P:2](=[O:1])([O:3][H:43])[O:4][H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E299 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:15]-[#8:18]-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26].[#6:36]-[#6@@:37](-[H:89])(-[#8:38])-[#6@:65](-[#6@:63])(-[#8:66]-[H])-[H:106]>>[#8:66](-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26])-[#6@:65](-[H:106])(-[#6@:37](-[#6:36])(-[H:89])-[#8:38])-[#6@:63].[#15:15]-[#8:18]-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N7 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#15:8].[H]-[#8:78]-[#6@:77]>>[#8:78](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#6@:77].[H]-[#8:7]-[#15:8]

EVODEX.1-Em20 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

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-Nm20 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

Source Full Reactions

EVODEX.1-R3192

Full Reaction Rendering

[O:1]=[P:2]([O:3][H:43])([O:4][H:44])[O:5][C@@:6]1([H:45])[O:7][C:8]([H:46])([H:47])[C@:9]([O:10][H:48])([H:49])[C@@:11]([O:12][H:50])([H:51])[C@:13]1([O:14][H:52])[H:53].[H][O:42][C@@:41]1([H:78])[C@@:16]([O:15][H:79])([H:54])[C@:17]([O:18][H:55])([H:56])[C@@:19]([O:20][C@:21]2([H:57])[C:22]([H:58])([H:59])[O:23][C@:24]([O:25][C@:26]3([H:60])[C:27]([H:61])([H:62])[O:28][C@:29]([O:30][H:63])([H:64])[C@@:31]([O:32][H:65])([H:66])[C@:33]3([O:34][H:67])[H:68])([H:69])[C@@:35]([O:36][H:70])([H:71])[C@:37]2([O:38][H:72])[H:73])([H:74])[O:39][C:40]1([H:75])[H:76]>>[C@@:6]1([O:42][C@@:41]2([H:78])[C@@:16]([O:15][H:79])([H:54])[C@:17]([O:18][H:55])([H:56])[C@@:19]([O:20][C@:21]3([H:57])[C:22]([H:58])([H:59])[O:23][C@:24]([O:25][C@:26]4([H:60])[C:27]([H:61])([H:62])[O:28][C@:29]([O:30][H:63])([H:64])[C@@:31]([O:32][H:65])([H:66])[C@:33]4([O:34][H:67])[H:68])([H:69])[C@@:35]([O:36][H:70])([H:71])[C@:37]3([O:38][H:72])[H:73])([H:74])[O:39][C:40]2([H:75])[H:76])([H:45])[O:7][C:8]([H:46])([H:47])[C@:9]([O:10][H:48])([H:49])[C@@:11]([O:12][H:50])([H:51])[C@:13]1([O:14][H:52])[H:53].[H][O:5][P:2](=[O:1])([O:3][H:43])[O:4][H:44]