EVODEX.1-P4307

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:44])([H:45])[H:46])([C@@:9]1([H:47])[C:10]([H:48])([H:49])[C:11]([H:50])([H:51])[C@@:12]2([H:52])[C@:13]3([H:53])[C:14]([H:54])([H:55])[C:15]([H:56])=[C:16]4[C:17]([H:57])([H:58])[C@:18]([O:19][C@:20]5([H:59])[O:21][C@@:22]([C:23]([O:24][H:60])([H:61])[H:62])([H:63])[C@:25]([O:26][H:64])([H:65])[C@@:27]([O:28][H:66])([H:67])[C@:29]5([O:30][H:68])[H:69])([H:70])[C:31]([H:71])([H:72])[C:32]([H:73])([H:74])[C@:33]4([C:34]([H:75])([H:76])[H:77])[C@@:35]3([H:78])[C:36]([H:79])([H:80])[C:37]([H:81])([H:82])[C@:38]12[C:39]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:40][H:97]>>[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:44])([H:45])[H:46])([C@@:9]1([H:47])[C:10]([H:48])([H:49])[C:11]([H:50])([H:51])[C@@:12]2([H:52])[C@:13]3([H:53])[C:14]([H:54])([H:55])[C:15]([H:56])=[C:16]4[C:17]([H:57])([H:58])[C@:18]([O:40][H:97])([H:70])[C:31]([H:71])([H:72])[C:32]([H:73])([H:74])[C@:33]4([C:34]([H:75])([H:76])[H:77])[C@@:35]3([H:78])[C:36]([H:79])([H:80])[C:37]([H:81])([H:82])[C@:38]12[C:39]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:19][C:20]1([H:59])[O:21][C@@:22]([C:23]([O:24][H:60])([H:61])[H:62])([H:63])[C@:25]([O:26][H:64])([H:65])[C@@:27]([O:28][H:66])([H:67])[C@:29]1([O:30][H:68])[H:69]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E246 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[#6@:10](-[H:31])(-[#8:11])-[#6@:23].[#8:1](-[H:52])-[H]>>[#8:1](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[H:52].[#8:9](-[#6:10](-[H:31])(-[#8:11])-[#6@:23])-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N668 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:37](-[#6@:36](-[#6@@:27])(-[#6@@:34])-[H:149])-[#6@@:38](-[H:138])(-[#8:39])-[#6@@:47].[H]-[#8:118]-[H:227]>>[#8:118](-[#6@:36](-[#6@@:27])(-[#6@@:34])-[H:149])-[H:227].[H]-[#8:37]-[#6:38](-[H:138])(-[#8:39])-[#6@@:47]

EVODEX.1-Em119 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

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-Nm153 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:8](-[#8:9]-[#6:10])-[#6:20].[H]-[#8:24]>>[#6:5]-[#6:8](-[#8:24])-[#6:20].[H]-[#8:9]-[#6:10]

Source Full Reactions

EVODEX.1-R5154

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:44])([H:45])[H:46])([C@@:9]1([H:47])[C:10]([H:48])([H:49])[C:11]([H:50])([H:51])[C@@:12]2([H:52])[C@:13]3([H:53])[C:14]([H:54])([H:55])[C:15]([H:56])=[C:16]4[C:17]([H:57])([H:58])[C@:18]([O:19][C@:20]5([H:59])[O:21][C@@:22]([C:23]([O:24][H:60])([H:61])[H:62])([H:63])[C@:25]([O:26][H:64])([H:65])[C@@:27]([O:28][H:66])([H:67])[C@:29]5([O:30][H:68])[H:69])([H:70])[C:31]([H:71])([H:72])[C:32]([H:73])([H:74])[C@:33]4([C:34]([H:75])([H:76])[H:77])[C@@:35]3([H:78])[C:36]([H:79])([H:80])[C:37]([H:81])([H:82])[C@:38]12[C:39]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:40][H:97]>>[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:44])([H:45])[H:46])([C@@:9]1([H:47])[C:10]([H:48])([H:49])[C:11]([H:50])([H:51])[C@@:12]2([H:52])[C@:13]3([H:53])[C:14]([H:54])([H:55])[C:15]([H:56])=[C:16]4[C:17]([H:57])([H:58])[C@:18]([O:40][H:97])([H:70])[C:31]([H:71])([H:72])[C:32]([H:73])([H:74])[C@:33]4([C:34]([H:75])([H:76])[H:77])[C@@:35]3([H:78])[C:36]([H:79])([H:80])[C:37]([H:81])([H:82])[C@:38]12[C:39]([H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:19][C:20]1([H:59])[O:21][C@@:22]([C:23]([O:24][H:60])([H:61])[H:62])([H:63])[C@:25]([O:26][H:64])([H:65])[C@@:27]([O:28][H:66])([H:67])[C@:29]1([O:30][H:68])[H:69]