1,2-Dichloroethane → HCID 49822781, compound
Reaction equation
[CH2:14]([Cl:15])[CH2:16][Cl:17].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[NH:6][CH:7]([CH:8]([CH3:9])[CH3:10])[C:11](=[O:12])[OH:13].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1.[s:28]1[c:29](-[c:33]2[cH:34][cH:35][c:36]([CH2:39][N:40]([CH2:41][CH:42]([CH:43]([CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[NH:51][C:52]([CH:53]([NH:54][C:55](=[O:56])[O:57][CH3:58])[CH:59]([CH3:60])[CH3:61])=[O:62])[OH:63])[NH2:64])[cH:37][cH:38]2)[n:30][cH:31][cH:32]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[NH:6][CH:7]([CH:8]([CH3:9])[CH3:10])[C:11](=[O:13])[NH:64][N:40]([CH2:39][c:36]1[cH:35][cH:34][c:33](-[c:29]2[s:28][cH:32][cH:31][n:30]2)[cH:38][cH:37]1)[CH2:41][CH:42]([CH:43]([CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[NH:51][C:52]([CH:53]([NH:54][C:55](=[O:56])[O:57][CH3:58])[CH:59]([CH3:60])[CH3:61])=[O:62])[OH:63]Participants
6
Sources & evidence
- ORD record
- ord-9fe5e6c0bdf2448a90d8d0d145e39628
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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