SMIRKS
[H][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H][O:58][C:56]([C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55])=[O:57]>>[C:56](=[O:57])=[O:58].[H]O[C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H]O[C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55]
Derived Operators
EVODEX.1-M19 - Mass Difference
31.9898
EVODEX.1-E609 - Reaction Operator E
[#7:4]-[#6:5](-[#6:6])(-[H:36])-[H].[#6:18]-[#6:19](=[#8:20])-[#6:21](=[#8:22])-[#8:23]-[H]>>[#6:21](=[#8:22])=[#8:23].[#7:4]-[#6:5](-[#6:6])(-[#8]-[H])-[H:36].[#6:18]-[#6:19](=[#8:20])-[#8]-[H]
EVODEX.1-C54 - Reaction Operator C
[H]-[#6:1].[H]-[#8:21]-[#6:19]-[#6:17]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1].[H]-[#8]-[#6:17]
EVODEX.1-N159 - Reaction Operator N
[H]-[#6:99](-[H:207])(-[#7:98])-[#6:100].[H]-[#8:130]-[#6:128](-[#6:126](-[#6:125])=[#8:127])=[#8:129]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8]-[#6:99](-[H:207])(-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]
EVODEX.1-Em241 - Reaction Operator Em
[H]-[#6:99](-[#7:98])-[#6:100].[H]-[#8:130]-[#6:128](-[#6:126](-[#6:125])=[#8:127])=[#8:129]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8]-[#6:99](-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]
EVODEX.1-Cm53 - Reaction Operator Cm
[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]
EVODEX.1-Nm239 - Reaction Operator Nm
[H]-[#6:99](-[#7:98])-[#6:100].[H]-[#8:130]-[#6:128](-[#6:126](-[#6:125])=[#8:127])=[#8:129]>>[#6:128](=[#8:129])=[#8:130].[H]-[#8]-[#6:99](-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]
Source Full Reactions
EVODEX.1-R373
[H][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H][O:58][C:56]([C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55])=[O:57].[O:59]=[O:60]>>[C:56](=[O:57])=[O:58].[H][O:59][C:6]([C:4]([O:3][C:2]([C:1]([H:97])([H:98])[H:99])([H:95])[H:96])=[O:5])([N:7]([O:8][C:9](=[O:10])[C@:11]1([H:61])[C:12]([H:62])([H:63])[C:13]([H:64])([H:65])[C:14]([H:66])([H:67])[N:15]1[O:16][C:17](=[O:18])[C@:19]([C:20]([C:21]1:[C:22]([H:68]):[C:23]([H:69]):[C:24]([H:70]):[C:25]([H:71]):[C:26]:1[H:72])([H:73])[H:74])([N:27]([O:28][C:29](=[O:30])[C:31]([N:32]([S:33](=[O:34])(=[O:35])[C:36]1:[C:37]([H:75]):[C:38]([H:76]):[C:39]([H:77]):[C:40]2:[C:41]([N:42]([C:43]([H:78])([H:79])[H:80])[C:44]([H:81])([H:82])[H:83]):[C:45]([H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1:2)[H:87])([H:88])[H:89])[H:90])[H:91])[H:92])[H:93].[H][O:60][C:54]([C:53]([C:52]([C:50](=[O:49])[O:51][H:100])([H:104])[H:105])([H:102])[H:103])=[O:55]