1,1-Dichloroethane → HCID 72303602, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([C:6](=[O:7])[O-:8])[O:9][c:10]1[cH:11][c:12]([CH2:16][O:17][NH:18][C:19](=[O:20])[CH:21]2[CH:22]([c:43]3[c:44]([Cl:50])[cH:45][c:46]([Cl:49])[cH:47][cH:48]3)[N:23]([CH:32]3[CH:33]([NH:38][S:39](=[O:40])(=[O:41])[CH3:42])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:24](=[O:31])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[cH:13][cH:14][cH:15]1.[Cl:51][CH:52]([Cl:53])[CH3:54].[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61]>>[CH2:5]([C:6](=[O:7])[OH:8])[O:9][c:10]1[cH:11][c:12]([CH2:16][O:17][NH:18][C:19](=[O:20])[CH:21]2[CH:22]([c:43]3[c:44]([Cl:50])[cH:45][c:46]([Cl:49])[cH:47][cH:48]3)[N:23]([CH:32]3[CH:33]([NH:38][S:39](=[O:40])(=[O:41])[CH3:42])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:24](=[O:31])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[cH:13][cH:14][cH:15]1Participants
4
Sources & evidence
- ORD record
- ord-1ffc3b73adb0410aba467166a4f40951
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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