EVODEX.1-P4352 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([O:7][C@:8]3([H:51])[C@@:9]([O:10][H:52])([H:53])[C@:11]([O:12][H:54])([H:55])[C@@:13]([O:14][C@@:15]4([H:56])[C@@:16]([O:17][H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C:20]([O:21][H:61])([H:62])[O:22][C@@:23]4([C:24]([O:25][H:63])([H:64])[H:65])[H:66])([H:67])[O:26][C@@:27]3([C:28]([O:29][H:68])([H:69])[H:70])[H:71])[C@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:7][C@:8]1([H:51])[C@@:9]([O:10][H:52])([H:53])[C@:11]([O:12][H:54])([H:55])[C@@:13]([O:14][C@@:15]2([H:56])[C@@:16]([O:17][H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C:20]([O:21][H:61])([H:62])[O:22][C@@:23]2([C:24]([O:25][H:63])([H:64])[H:65])[H:66])([H:67])[O:26][C@@:27]1([C:28]([O:29][H:68])([H:69])[H:70])[H:71]

Derived Operators

EVODEX.1-F393 - Elemental Balance

C	-14
O	-10
N	-1
H	-23

EVODEX.1-M389 - Mass Difference

-365.13219

EVODEX.1-E1198 - Reaction Operator E

[#6](-[#6](=[#8])-[#7](-[#6@@]1(-[H])-[#6@](-[#8:7]-[#6:8])(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6:8])-[H]

EVODEX.1-C376 - Reaction Operator C

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#8:7])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]

EVODEX.1-N446 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#8:7]-[#6:8])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]-[#6:8]

EVODEX.1-Em15 - Reaction Operator Em

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm18 - Reaction Operator Nm

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5195

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