EVODEX.1-P827 - Partial Reaction

SMIRKS

[H][C:5]([C:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([O:4][H:57])[H:63])([C:6]([H])([C:7](=[O:8])[H:58])[H:59])[H:61]>>[C:1]([C:2]([C:3]([O:4][H:57])([C:5](=[C:6]([C:7](=[O:8])[H:58])[H:59])[H:61])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68]

Derived Operators

EVODEX.1-F4 - Elemental Balance

-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-C34 - Reaction Operator C

[H]-[#6:5]-[#6@:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-N82 - Reaction Operator N

[H]-[#6:5](-[#6:3])(-[#6:6](-[H])(-[#6:7])-[H:59])-[H:61]>>[#6:3]-[#6:5](=[#6:6](-[#6:7])-[H:59])-[H:61]

EVODEX.1-Em319 - Reaction Operator Em

[H]-[#6:5](-[#6:3])-[#6:6](-[H])-[#6:7]=[#8:8]>>[#6:3]-[#6:5]=[#6:6]-[#6:7]=[#8:8]

EVODEX.1-Cm61 - Reaction Operator Cm

[H]-[#6:5]-[#6:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-Nm96 - Reaction Operator Nm

[H]-[#6:5](-[#6:3])-[#6:6](-[H])-[#6:7]>>[#6:3]-[#6:5]=[#6:6]-[#6:7]

Source Full Reactions

EVODEX.1-R796

[H][C:5]([C:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([O:4][H:57])[H:63])([C:6]([H])([C:7](=[O:8])[H:58])[H:59])[H:61].[N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:69]):[C:14]([H:70]):[C:15]([H:71]):[N+:16]([C@:17]2([H:72])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:73])[O:25][P:26](=[O:27])([O:28][H:74])[O:29][C:30]([C@@:31]3([H:75])[O:32][C@:33]([N:34]4:[C:35]([H:76]):[N:36]:[C:37]5:[C:38]([N:39]([H:77])[H:78]):[N:40]:[C:41]([H:79]):[N:42]:[C:43]:4:5)([H:80])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:81])[O:49][H:82])([H:83])[C@@:50]3([O:51][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:52]([O:53][H:91])([H:92])[C@:54]2([O:55][H:93])[H:94]):[C:56]:1[H:95])([H:96])[H:97]>>[C:1]([C:2]([C:3]([O:4][H:57])([C:5](=[C:6]([C:7](=[O:8])[H:58])[H:59])[H:61])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[HH].[H][C:13]1([H:69])[C:12]([C:10]([N:9]([H:96])[H:97])=[O:11])=[C:56]([H:95])[N:16]([C@:17]2([H:72])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:73])[O:25][P:26](=[O:27])([O:28][H:74])[O:29][C:30]([C@@:31]3([H:75])[O:32][C@:33]([N:34]4:[C:35]([H:76]):[N:36]:[C:37]5:[C:38]([N:39]([H:77])[H:78]):[N:40]:[C:41]([H:79]):[N:42]:[C:43]:4:5)([H:80])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:81])[O:49][H:82])([H:83])[C@@:50]3([O:51][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:52]([O:53][H:91])([H:92])[C@:54]2([O:55][H:93])[H:94])[C:15]([H:71])=[C:14]1[H:70]