1,2-Dichloroethane → HCID 68676353, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9](=[O:10])[OH:11])[c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][c:22](-[c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)[cH:16][cH:17]1)=[O:36].[CH2:47]([Cl:48])[CH2:49][Cl:50].[CH3:51][NH:52][CH3:53].[Cl:54][CH2:55][Cl:56].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9](=[O:10])[N:52]([CH3:51])[CH3:53])[c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][c:22](-[c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)[cH:16][cH:17]1)=[O:36]Participants
6
Sources & evidence
- ORD record
- ord-980a7c8372ec4b4290b4a5af591e296c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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