EVODEX.1-P2382 - Partial Reaction

SMIRKS

[H][O:44][C@:43]1([H:77])[C@:40]([C:41]([O:42][H:72])([H:73])[H:74])([H:75])[O:39][C@:25]([O:26][C:27]2:[C:28]([H:64]):[C:29]([H:65]):[C:30]3:[C:31]([C:32]([H:66])([H:67])[H:68]):[C:33]([H:69]):[C:34](=[O:35]):[O:36]:[C:37]:3:[C:38]:2[H:70])([H:71])[C@@:24]([N:23]([C:21]([C:20]([H:81])([H:82])[H:83])=[O:22])[H:80])([H:63])[C@:45]1([O:46][H:78])[H:79]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:44][C@:43]2([H:77])[C@:40]([C:41]([O:42][H:72])([H:73])[H:74])([H:75])[O:39][C@:25]([O:26][C:27]3:[C:28]([H:64]):[C:29]([H:65]):[C:30]4:[C:31]([C:32]([H:66])([H:67])[H:68]):[C:33]([H:69]):[C:34](=[O:35]):[O:36]:[C:37]:4:[C:38]:3[H:70])([H:71])[C@@:24]([N:23]([C:21]([C:20]([H:81])([H:82])[H:83])=[O:22])[H:80])([H:63])[C@:45]2([O:46][H:78])[H:79])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F161 - Elemental Balance

C	8
O	5
N	1
H	13

EVODEX.1-M118 - Mass Difference

203.07938999999996

EVODEX.1-C160 - Reaction Operator C

[H]-[#8:30]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:30])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]

EVODEX.1-N75 - Reaction Operator N

[H]-[#8:30]-[#6@@:28]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:30]-[#6@@:28])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[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-R3116

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