Water → HCID 178435931, compound
Reaction equation
[CH2:38]1[CH2:39][CH2:42][CH2:41][O:40]1.[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][CH2:6][N:7]([SH:8](=[O:9])=[O:10])[c:11]2[c:12]([CH:31]3[CH2:32][CH2:33]3)[cH:13][c:14]3[c:15]([n:16]2)[o:17][c:18](-[c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[c:19]3[C:20](=[O:21])[NH:22][CH3:23])[cH:34][cH:35][cH:36][cH:37]1.[OH2:43]>>[c:2]1([CH:38]=[CH2:39])[c:3]([CH2:4][CH2:5][CH2:6][N:7]([SH:8](=[O:9])=[O:10])[c:11]2[c:12]([CH:31]3[CH2:32][CH2:33]3)[cH:13][c:14]3[c:15]([n:16]2)[o:17][c:18](-[c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[c:19]3[C:20](=[O:21])[NH:22][CH3:23])[cH:34][cH:35][cH:36][cH:37]1Participants
4
Sources & evidence
- ORD record
- ord-708440c90aa94de18b66ce5612c58aab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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