1,2-Dichloroethane → HCID 72266891, compound
Reaction equation
[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[c:7]([C:23](=[O:24])[NH:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:8][c:9]2[n:10]([c:21]1=[O:22])[CH2:11][CH:12]([O:19][CH3:20])[CH2:13][CH2:14][CH:15]2[NH:16][CH2:17][CH3:18].[CH3:34][N:35]([C:36]([C:37](=[O:38])[OH:39])=[O:40])[CH3:41].[CH3:56][S:57](=[O:58])(=[O:59])[Cl:60].[Cl:61][CH2:62][Cl:63].[OH2:64].[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[c:7]([C:23](=[O:24])[NH:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:8][c:9]2[n:10]([c:21]1=[O:22])[CH2:11][CH:12]([O:19][CH3:20])[CH2:13][CH2:14][CH:15]2[N:16]([CH2:17][CH3:18])[C:37]([C:36]([N:35]([CH3:34])[CH3:41])=[O:40])=[O:38]Participants
8
Sources & evidence
- ORD record
- ord-38f5fcc8493147a69786cfd9a85d1920
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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