1,2-Dichloroethane → HCID 68926778, compound
Reaction equation
[CH2:54]([Cl:55])[CH2:56][Cl:57].[Cl:58][CH2:59][Cl:60].[N:1]1([CH2:7][c:8]2[cH:9][c:10]3[c:15]([cH:16][cH:17]2)[CH2:14][CH:13]([NH2:18])[CH2:12][CH2:11]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1.[cH:19]1[c:20]([S:29](=[O:30])(=[O:31])[NH:32][CH:33]([CH2:34][C:35](=[O:36])[OH:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:21][cH:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12>>[N:1]1([CH2:7][c:8]2[cH:9][c:10]3[c:15]([cH:16][cH:17]2)[CH2:14][CH:13]([NH:18][C:35]([CH2:34][CH:33]([NH:32][S:29]([c:20]2[cH:19][c:28]4[c:23]([cH:22][cH:21]2)[cH:24][cH:25][cH:26][cH:27]4)(=[O:30])=[O:31])[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:36])[CH2:12][CH2:11]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-d0908b1e1f9745e8869963f8a448005e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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