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EVODEX.1-P4456

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:18][C@@:17]1([H:64])[C@@:15]([O:16][H:61])([H:62])[C@:12]([C:13]([O:14][H:57])([H:58])[H:59])([H:60])[O:11][C@:10]([O:9][C@@:8]2([H:70])[C@@:6]([O:7][H:54])([H:55])[C@:5]([N:4]([C:2]([C:1]([H:78])([H:79])[H:80])=[O:3])[H:77])([H:53])[C@@:28]([O:29][H:75])([H:76])[O:27][C@@:24]2([C:25]([O:26][H:71])([H:72])[H:73])[H:74])([H:56])[C@@:19]1([N:20]([C:21]([C:22]([H:65])([H:66])[H:67])=[O:23])[H:68])[H:69].[O:30]([C:31]([C@@:32]1([H:81])[O:33][C@:34]([O:35][C@@:36]2([H:82])[C@@:37]([O:38][H:83])([H:84])[C@:39]([O:40][H:85])([H:86])[C@@:41]([O:42][H:87])([H:88])[O:43][C@@:44]2([C:45]([O:46][H:89])([H:90])[H:91])[H:92])([H:93])[C@@:47]([O:48][H:94])([H:95])[C@:49]([O:50][H:96])([H:97])[C@:51]1([O:52][H:98])[H:99])([H:100])[H:101])[H:102]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:53])[C@:6]([O:7][H:54])([H:55])[C@@:8]([O:9][C@:10]2([H:56])[O:11][C@@:12]([C:13]([O:14][H:57])([H:58])[H:59])([H:60])[C@:15]([O:16][H:61])([H:62])[C@@:17]([O:18][C@:34]3([H:93])[O:33][C@@:32]([C:31]([O:30][H:102])([H:100])[H:101])([H:81])[C@@:51]([O:52][H:98])([H:99])[C@@:49]([O:50][H:96])([H:97])[C@:47]3([O:48][H:94])[H:95])([H:64])[C@:19]2([N:20]([C:21]([C:22]([H:65])([H:66])[H:67])=[O:23])[H:68])[H:69])([H:70])[C@:24]([C:25]([O:26][H:71])([H:72])[H:73])([H:74])[O:27][C@:28]1([O:29][H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][O:35][C@@:36]1([H:82])[C@@:37]([O:38][H:83])([H:84])[C@:39]([O:40][H:85])([H:86])[C@@:41]([O:42][H:87])([H:88])[O:43][C@@:44]1([C:45]([O:46][H:89])([H:90])[H:91])[H:92]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1399 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:18].[#6@@:15]-[#6@:12].[#6@@:6].[#6@@:28].[#6@@:24].[#6@@:19]).[#8:35]-[#6@:34]-[#6@@:47]-[#6@:49]-[#6@:51]>>([#8:18]-[#6@:34]-[#6@:47]-[#6@@:49]-[#6@@:51].[#6@:6].[#6@@:12]-[#6@:15].[#6@:19].[#6@:24].[#6@:28]).[H]-[#8:35]

EVODEX.1-N1780 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:18]-[#6@:17]1-[#6@@:15](-[#8:16])(-[H:62])-[#6@:12](-[#6:13])(-[H:60])-[#8:11]-[#6@:10]-[#6@@:19]-1(-[#7:20])-[H:69].[#8:7]-[#6@:6]1(-[#6@@:8]-[#6@:24](-[#8:27]-[#6@:28](-[#6@:5]-1)(-[#8:29])-[H:76])(-[#6:25])-[H:74])-[H:55]).[#8:33]1-[#6@@:32]-[#6@@:51](-[#6@@:49](-[#6@:47](-[#6@@:34]-1(-[#8:35]-[#6@@:36])-[H:93])(-[#8:48])-[H:95])(-[#8:50])-[H:97])(-[#8:52])-[H:99]>>([#8:7]-[#6@@:6]1(-[#6@:5]-[#6@@:28](-[#8:27]-[#6@@:24](-[#6@@:8]-1)(-[#6:25])-[H:74])(-[#8:29])-[H:76])-[H:55].[#8:11]1-[#6@:10]-[#6@@:19](-[#6@@:17](-[#6@@:15](-[#6@:12]-1(-[#6:13])-[H:60])(-[#8:16])-[H:62])-[#8:18]-[#6@:34]1(-[H:93])-[#8:33]-[#6@@:32]-[#6@@:51](-[#8:52])(-[H:99])-[#6@@:49](-[#8:50])(-[H:97])-[#6@:47]-1(-[#8:48])-[H:95])(-[#7:20])-[H:69]).[H]-[#8:35]-[#6@@:36]

EVODEX.1-Em44 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

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-Nm47 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

Source Full Reactions

EVODEX.1-R5297

Full Reaction Rendering

[H][O:18][C@@:17]1([H:64])[C@@:15]([O:16][H:61])([H:62])[C@:12]([C:13]([O:14][H:57])([H:58])[H:59])([H:60])[O:11][C@:10]([O:9][C@@:8]2([H:70])[C@@:6]([O:7][H:54])([H:55])[C@:5]([N:4]([C:2]([C:1]([H:78])([H:79])[H:80])=[O:3])[H:77])([H:53])[C@@:28]([O:29][H:75])([H:76])[O:27][C@@:24]2([C:25]([O:26][H:71])([H:72])[H:73])[H:74])([H:56])[C@@:19]1([N:20]([C:21]([C:22]([H:65])([H:66])[H:67])=[O:23])[H:68])[H:69].[O:30]([C:31]([C@@:32]1([H:81])[O:33][C@:34]([O:35][C@@:36]2([H:82])[C@@:37]([O:38][H:83])([H:84])[C@:39]([O:40][H:85])([H:86])[C@@:41]([O:42][H:87])([H:88])[O:43][C@@:44]2([C:45]([O:46][H:89])([H:90])[H:91])[H:92])([H:93])[C@@:47]([O:48][H:94])([H:95])[C@:49]([O:50][H:96])([H:97])[C@:51]1([O:52][H:98])[H:99])([H:100])[H:101])[H:102]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:53])[C@:6]([O:7][H:54])([H:55])[C@@:8]([O:9][C@:10]2([H:56])[O:11][C@@:12]([C:13]([O:14][H:57])([H:58])[H:59])([H:60])[C@:15]([O:16][H:61])([H:62])[C@@:17]([O:18][C@:34]3([H:93])[O:33][C@@:32]([C:31]([O:30][H:102])([H:100])[H:101])([H:81])[C@@:51]([O:52][H:98])([H:99])[C@@:49]([O:50][H:96])([H:97])[C@:47]3([O:48][H:94])[H:95])([H:64])[C@:19]2([N:20]([C:21]([C:22]([H:65])([H:66])[H:67])=[O:23])[H:68])[H:69])([H:70])[C@:24]([C:25]([O:26][H:71])([H:72])[H:73])([H:74])[O:27][C@:28]1([O:29][H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][O:35][C@@:36]1([H:82])[C@@:37]([O:38][H:83])([H:84])[C@:39]([O:40][H:85])([H:86])[C@@:41]([O:42][H:87])([H:88])[O:43][C@@:44]1([C:45]([O:46][H:89])([H:90])[H:91])[H:92]