1,2-Dichloroethane → HCID 59136130, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][C:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]1[nH:15][c:16]2[c:17]([N:23]([S:24](=[O:25])(=[O:26])[c:27]3[s:28][cH:29][cH:30][cH:31]3)[CH3:32])[cH:18][cH:19][cH:20][c:21]2[cH:22]1)([CH:33]=[O:34])[CH3:35].[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[Cl:61][CH2:62][CH2:63][Cl:64].[Na+:55].[Na+:56].[OH:57][C:58](=[O:59])[O-:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][C:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]1[nH:15][c:16]2[c:17]([N:23]([S:24](=[O:25])(=[O:26])[c:27]3[s:28][cH:29][cH:30][cH:31]3)[CH3:32])[cH:18][cH:19][cH:20][c:21]2[cH:22]1)([CH2:33][N:41]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1)[CH3:35]Participants
7
Sources & evidence
- ORD record
- ord-5aefa8ab44a04e8ba1cbeff876be9f6e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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