Water → HCID 18791978, compound
Reaction equation
[CH3:34][O:35][C:36]1([O:46][CH3:47])[CH:37]2[CH2:38][CH:39]3[CH2:40][CH:41]([CH2:42][CH:43]1[CH2:44]3)[CH2:45]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:19]([CH3:20])[CH3:21])[n:12][c:13]([CH2:16][CH2:17][OH:18])[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:22].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:19]([CH3:20])[CH3:21])[n:12][c:13]([CH2:16][CH2:17][O:18][C:36]3([O:35][CH3:34])[CH:37]4[CH2:38][CH:39]5[CH2:40][CH:41]([CH2:42][CH:43]3[CH2:44]5)[CH2:45]4)[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-abcf0575a53a445a8b8ec7746d836e07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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