1,2-Dichloroethane → HCID 178442215, compound
Reaction equation
[CH2:50]([Cl:51])[CH2:52][Cl:53].[CH3:30][C:31](=[CH:32][C:33](=[O:34])[OH:35])[CH2:36][CH2:37][CH:38]=[CH2:39].[Cl:54][CH2:55][Cl:56].[NH2:1][CH:2]1[CH2:3][C:4]([O:13][CH3:14])([CH:15]2[N:16]([CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[C:17](=[O:20])[S:18][CH2:19]2)[O:5][CH:6]([CH2:8][CH2:9][CH2:10][CH:11]=[CH2:12])[CH2:7]1.[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[NH:1]([CH:2]1[CH2:3][C:4]([O:13][CH3:14])([CH:15]2[N:16]([CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[C:17](=[O:20])[S:18][CH2:19]2)[O:5][CH:6]([CH2:8][CH2:9][CH2:10][CH:11]=[CH2:12])[CH2:7]1)[C:33]([CH:32]=[C:31]([CH3:30])[CH2:36][CH2:37][CH:38]=[CH2:39])=[O:34]Participants
6
Sources & evidence
- ORD record
- ord-c5627b0142954dfa9d81623dbf4f8540
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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