EVODEX.1-P4269

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E108 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25](-[#6@@:24])(-[#8:26]-[#16:27])(-[H:43])-[H:44].[#8:37](-[H:85])-[H]>>[#6:25](-[#6@@:24])(-[#8:37]-[H:85])(-[H:43])-[H:44].[#8:26](-[#16:27])-[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-N666 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#16:8])(-[H:20])-[H:21].[H]-[#8:12]-[H:27]>>[#6:5]-[#6:6](-[#8:12]-[H:27])(-[H:20])-[H:21].[H]-[#8:7]-[#16:8]

EVODEX.1-Em631 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]-[#8:7]-[#16:8].[H]-[#8:12]>>[#6:5]-[#6:6]-[#8:12].[H]-[#8:7]-[#16:8]

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-Nm566 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]-[#8:7]-[#16:8].[H]-[#8:12]>>[#6:5]-[#6:6]-[#8:12].[H]-[#8:7]-[#16:8]

Source Full Reactions

EVODEX.1-R5116

Full Reaction Rendering

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