1,2-Dichloroethane → HCID 11445050, compound
Reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][c:40]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:41]1[O:42][CH3:43].[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[Cl:52][CH2:53][Cl:54].[NH2:1][CH2:2][CH:3]1[CH2:4][N:5]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)=[O:28])[CH2:6][CH2:7]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][N:5]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)=[O:28])[CH2:6][CH2:7]1)[C:36]([c:35]1[cH:34][c:33]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:41]([O:42][CH3:43])[c:40]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:39]1)=[O:37]Participants
6
Sources & evidence
- ORD record
- ord-0de904d43bd747bc8512be81d0e11ade
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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