EVODEX.1-P4279

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E156 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:43](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[#16:44].[#8:234](-[H:387])-[H]>>[#8:234](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[H:387].[#8:43](-[#16:44])-[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-N663 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6@:18](-[#8:19]-[#16:20])(-[H:53])-[#6:24].[H]-[#8:33]-[H:80]>>[#6:17]-[#6@:18](-[#8:33]-[H:80])(-[H:53])-[#6:24].[H]-[#8:19]-[#16:20]

EVODEX.1-Em626 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18](-[#8:19]-[#16:20])-[#6:24].[H]-[#8:33]>>[#6:17]-[#6:18](-[#8:33])-[#6:24].[H]-[#8:19]-[#16:20]

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-Nm561 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18](-[#8:19]-[#16:20])-[#6:24].[H]-[#8:33]>>[#6:17]-[#6:18](-[#8:33])-[#6:24].[H]-[#8:19]-[#16:20]

Source Full Reactions

EVODEX.1-R5123

Full Reaction Rendering

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