1,2-Dichloroethane → HCID 66871634, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:42]([N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH:49]=[CH2:50])=[O:51])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:33]4[n:34][c:35]([CH:39]([CH3:40])[CH3:41])[cH:36][cH:37][cH:38]4)[n:23][c:24]4[c:25]([CH3:32])[c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[Cl:52][CH2:53][CH2:54][Cl:55]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH:7]([CH2:8]1)[CH:9]=[CH:10][CH2:48][CH2:47][CH2:46][CH2:45][N:43]([CH3:44])[C:42](=[O:51])[CH:15]1[CH:14]([C:12](=[O:13])[NH:11]2)[CH2:18][CH:17]([O:19][c:20]2[cH:21][c:22](-[c:33]3[n:34][c:35]([CH:39]([CH3:40])[CH3:41])[cH:36][cH:37][cH:38]3)[n:23][c:24]3[c:25]([CH3:32])[c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]23)[CH2:16]1Participants
3
Sources & evidence
- ORD record
- ord-b184b4a182a540489cfef3aab5bde8e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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