1,2-Dichloroethane → HCID 178435774, compound
Reaction equation
[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH2:42][C:43](=[O:44])[OH:45].[CH2:56]([Cl:57])[CH2:58][Cl:59].[Cl:60][CH2:61][Cl:62].[NH2:1][CH2:2][CH2:3][C:4]1([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1.[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[NH:1]([CH2:2][CH2:3][C:4]1([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)[C:43]([CH2:42][NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])=[O:44]Participants
6
Sources & evidence
- ORD record
- ord-d7d9b90cb08842049ad6266d208e99ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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