EVODEX.1-P2512 - Partial Reaction

SMIRKS

[H][O:52][C:51]1([H:87])[C:40]([C:39]2:[C:38]([H:78]):[C:37]([H:77]):[C:36]([O:35][H:90]):[C:54]([H:89]):[C:53]:2[H:88])([H:79])[O:41][C:42]2:[C:43]([H:80]):[C:44]([O:45][H:81]):[C:46]([H:82]):[C:47]([O:48][H:83]):[C:49]:2[C:50]1([H:84])[H:85]>>[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])([O:52][C:51]2([H:87])[C:40]([C:39]3:[C:38]([H:78]):[C:37]([H:77]):[C:36]([O:35][H:90]):[C:54]([H:89]):[C:53]:3[H:88])([H:79])[O:41][C:42]3:[C:43]([H:80]):[C:44]([O:45][H:81]):[C:46]([H:82]):[C:47]([O:48][H:83]):[C:49]:3[C:50]2([H:84])[H:85])OC([H])([H])[C@@]1([H])O[H]

Derived Operators

EVODEX.1-F151 - Elemental Balance

O	4
C	5
H	8

EVODEX.1-M251 - Mass Difference

132.04224

EVODEX.1-E814 - Reaction Operator E

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

EVODEX.1-C389 - Reaction Operator C

[H]-[#8:52]>>[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:52])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]

EVODEX.1-N465 - Reaction Operator N

[H]-[#8:52]-[#6:51]>>[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:52]-[#6:51])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]

EVODEX.1-Em12 - Reaction Operator Em

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm16 - Reaction Operator Nm

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

Source Full Reactions

EVODEX.1-R3264

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