Water → HCID 59490916, compound
Reaction equation
[C:30]([c:31]1[nH:32][cH:33][cH:34][n:35]1)([c:36]1[nH:37][cH:38][cH:39][n:40]1)=[O:41].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:42]1([S:45](=[O:46])(=[O:47])[NH2:48])[CH2:43][CH2:44]1.[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:23](=[O:24])[OH:25])[c:7](-[c:15]3[c:16]([O:21][CH3:22])[n:17][cH:18][cH:19][cH:20]3)[c:8]3[n:9][c:10]([CH3:14])[cH:11][cH:12][c:13]23)[cH:26][cH:27][cH:28][cH:29]1.[N:49]12[CH2:50][CH2:51][CH2:52][N:53]=[C:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2.[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:71]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:23](=[O:25])[NH:48][S:45]([CH:42]3[CH2:43][CH2:44]3)(=[O:46])=[O:47])[c:7](-[c:15]3[c:16]([O:21][CH3:22])[n:17][cH:18][cH:19][cH:20]3)[c:8]3[n:9][c:10]([CH3:14])[cH:11][cH:12][c:13]23)[cH:26][cH:27][cH:28][cH:29]1Participants
8
Sources & evidence
- ORD record
- ord-ae1b9b1980db45838cd738c33abed684
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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