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EVODEX.1-P2236

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[P:2]([O:3][H:51])([O:4][H:52])[O:5][C@@:6]1([H:53])[O:7][C@@:8]([C:9]([O:10][C@@:11]2([H:54])[O:12][C@@:13]([C:14]([O:15][H:55])([H:56])[H:57])([H:58])[C@:16]([O:17][H:59])([H:60])[C@@:18]([O:19][H:61])([H:62])[C@:20]2([O:21][H:63])[H:64])([H:65])[H:66])([H:67])[C@:22]([O:23][C@@:24]2([H:68])[O:25][C@@:26]([C:27]([O:28][H:69])([H:70])[H:71])([H:72])[C@:29]([O:30][H:73])([H:74])[C@@:31]([O:32][H:75])([H:76])[C@:33]2([O:34][H:77])[H:78])([H:79])[C@@:35]([O:36][H:80])([H:81])[C@:37]1([O:38][H:82])[H:83].[H][O:50][C@:49]1([H:92])[C@:41]([C:40]([O:39][H:95])([H:93])[H:94])([H:84])[O:42][C@@:43]([O:44][H:85])([H:86])[C@@:45]([O:46][H:87])([H:88])[C@:47]1([O:48][H:89])[H:90]>>[C@:6]1([O:50][C@:49]2([H:92])[C@:41]([C:40]([O:39][H:95])([H:93])[H:94])([H:84])[O:42][C@@:43]([O:44][H:85])([H:86])[C@@:45]([O:46][H:87])([H:88])[C@:47]2([O:48][H:89])[H:90])([H:53])[O:7][C@@:8]([C:9]([O:10][C@@:11]2([H:54])[O:12][C@@:13]([C:14]([O:15][H:55])([H:56])[H:57])([H:58])[C@:16]([O:17][H:59])([H:60])[C@@:18]([O:19][H:61])([H:62])[C@:20]2([O:21][H:63])[H:64])([H:65])[H:66])([H:67])[C@:22]([O:23][C@@:24]2([H:68])[O:25][C@@:26]([C:27]([O:28][H:69])([H:70])[H:71])([H:72])[C@:29]([O:30][H:73])([H:74])[C@@:31]([O:32][H:75])([H:76])[C@:33]2([O:34][H:77])[H:78])([H:79])[C@@:35]([O:36][H:80])([H:81])[C@:37]1([O:38][H:82])[H:83].[H][O:5][P:2](=[O:1])([O:3][H:51])[O:4][H:52]

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-R2967

Full Reaction Rendering

[O:1]=[P:2]([O:3][H:51])([O:4][H:52])[O:5][C@@:6]1([H:53])[O:7][C@@:8]([C:9]([O:10][C@@:11]2([H:54])[O:12][C@@:13]([C:14]([O:15][H:55])([H:56])[H:57])([H:58])[C@:16]([O:17][H:59])([H:60])[C@@:18]([O:19][H:61])([H:62])[C@:20]2([O:21][H:63])[H:64])([H:65])[H:66])([H:67])[C@:22]([O:23][C@@:24]2([H:68])[O:25][C@@:26]([C:27]([O:28][H:69])([H:70])[H:71])([H:72])[C@:29]([O:30][H:73])([H:74])[C@@:31]([O:32][H:75])([H:76])[C@:33]2([O:34][H:77])[H:78])([H:79])[C@@:35]([O:36][H:80])([H:81])[C@:37]1([O:38][H:82])[H:83].[H][O:50][C@:49]1([H:92])[C@:41]([C:40]([O:39][H:95])([H:93])[H:94])([H:84])[O:42][C@@:43]([O:44][H:85])([H:86])[C@@:45]([O:46][H:87])([H:88])[C@:47]1([O:48][H:89])[H:90]>>[C@:6]1([O:50][C@:49]2([H:92])[C@:41]([C:40]([O:39][H:95])([H:93])[H:94])([H:84])[O:42][C@@:43]([O:44][H:85])([H:86])[C@@:45]([O:46][H:87])([H:88])[C@:47]2([O:48][H:89])[H:90])([H:53])[O:7][C@@:8]([C:9]([O:10][C@@:11]2([H:54])[O:12][C@@:13]([C:14]([O:15][H:55])([H:56])[H:57])([H:58])[C@:16]([O:17][H:59])([H:60])[C@@:18]([O:19][H:61])([H:62])[C@:20]2([O:21][H:63])[H:64])([H:65])[H:66])([H:67])[C@:22]([O:23][C@@:24]2([H:68])[O:25][C@@:26]([C:27]([O:28][H:69])([H:70])[H:71])([H:72])[C@:29]([O:30][H:73])([H:74])[C@@:31]([O:32][H:75])([H:76])[C@:33]2([O:34][H:77])[H:78])([H:79])[C@@:35]([O:36][H:80])([H:81])[C@:37]1([O:38][H:82])[H:83].[H][O:5][P:2](=[O:1])([O:3][H:51])[O:4][H:52]