EVODEX.1-P4308

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5155

Full Reaction Rendering

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