Sodium ion → HCID 59799038, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([O:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[N:41][NH2:42].[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[Na+:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([c:54]2[cH:55][cH:56][c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[c:63]2-[c:64]2[c:65]3[c:66]([cH:67][cH:68][cH:69][cH:70]3)[cH:71][cH:72][c:73]2[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([NH:42][N:41]=[C:28]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
6
Sources & evidence
- ORD record
- ord-ec89671cba2d41ffb0b457c9caf0b016
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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