Water → HCID 77179064, compound
Reaction equation
[CH3:13][CH:14]1[O:15][CH:16]([CH3:53])[CH2:17][N:18]([CH2:20][c:21]2[n:22][n:23][c:24](-[c:26]3[c:27]4[cH:28][n:29][n:30]([S:44](=[O:45])(=[O:46])[c:47]5[cH:48][cH:49][cH:50][cH:51][cH:52]5)[c:31]4[cH:32][c:33](-[c:35]4[cH:36][c:37]([NH2:43])[c:38]([O:41][CH3:42])[n:39][cH:40]4)[cH:34]3)[o:25]2)[CH2:19]1.[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH2:54].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:43][c:37]2[cH:36][c:35](-[c:33]3[cH:32][c:31]4[c:27]([c:26](-[c:24]5[n:23][n:22][c:21]([CH2:20][N:18]6[CH2:17][CH:16]([CH3:53])[O:15][CH:14]([CH3:13])[CH2:19]6)[o:25]5)[cH:34]3)[cH:28][n:29][n:30]4[S:44](=[O:45])(=[O:46])[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[cH:40][n:39][c:38]2[O:41][CH3:42])[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-a72a34229bf145b3a70e08a64a15f052
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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