EVODEX.1-P4405 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:7][C:8]([C@:9]([N:10]([C:11](=[O:12])[C@:13]2([H:51])[C:14]([H:52])([H:53])[C:15]([H:54])([H:55])[C:16]([H:56])([H:57])[N:17]2[H:58])[H:59])([C:18](=[O:19])[N:20]([C@:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([O:27][H:60])([H:61])[H:62])([C:28](=[O:29])[N:30]([C@:31]([C:32](=[O:33])[O:34][H:63])([C@@:35]([C:36]([H:64])([H:65])[H:66])([O:37][H:67])[H:68])[H:69])[H:70])[H:71])[H:72])([C@@:38]([C:39]([H:73])([H:74])[H:75])([O:40][H:76])[H:77])[H:78])[H:79])[H:80])([H:81])[H:82])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:7][C:8]([C@:9]([N:10]([C:11](=[O:12])[C@:13]1([H:51])[C:14]([H:52])([H:53])[C:15]([H:54])([H:55])[C:16]([H:56])([H:57])[N:17]1[H:58])[H:59])([C:18](=[O:19])[N:20]([C@:21]([C:22](=[O:23])[N:24]([C@@:25]([C:26]([O:27][H:60])([H:61])[H:62])([C:28](=[O:29])[N:30]([C@:31]([C:32](=[O:33])[O:34][H:63])([C@@:35]([C:36]([H:64])([H:65])[H:66])([O:37][H:67])[H:68])[H:69])[H:70])[H:71])[H:72])([C@@:38]([C:39]([H:73])([H:74])[H:75])([O:40][H:76])[H:77])[H:78])[H:79])[H:80])([H:81])[H:82]

Derived Operators

EVODEX.1-F392 - Elemental Balance

O	-5
C	-8
N	-1
H	-13

EVODEX.1-M388 - Mass Difference

-203.07938999999996

EVODEX.1-E1197 - 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]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6@:8])-[H]

EVODEX.1-C530 - Reaction Operator C

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

EVODEX.1-N674 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:7]-[#6@:8])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[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-R5243

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