1,2-Dichloroethane → HCID 68934380, compound
Reaction equation
[CH2:58]([Cl:59])[CH2:60][Cl:61].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:62][CH2:63][Cl:64].[NH2:1][CH:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]21.[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1.[cH:14]1[c:15]([S:24](=[O:25])(=[O:26])[NH:27][CH:28]([CH2:29][C:30](=[O:31])[OH:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:16][cH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12>>[NH:1]([CH:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]21)[C:30]([CH2:29][CH:28]([NH:27][S:24]([c:15]1[cH:14][c:23]2[c:18]([cH:17][cH:16]1)[cH:19][cH:20][cH:21][cH:22]2)(=[O:25])=[O:26])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:31]Participants
7
Sources & evidence
- ORD record
- ord-9d224980f36f4f828237ac79c0a0f396
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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