1,2-Dichloroethane → HCID 178464423, compound
Reaction equation
[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([CH:17]([CH:18]([C:19](=[O:20])[OH:21])[CH3:22])[c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[s:16]2)[cH:10][cH:11]1)[CH3:30].[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH3:45][c:46]1[n:47][n:48][c:49]([NH2:51])[s:50]1.[CH3:61][C:62]#[N:63].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([CH:17]([CH:18]([C:19](=[O:21])[NH:51][c:49]3[n:48][n:47][c:46]([CH3:45])[s:50]3)[CH3:22])[c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[s:16]2)[cH:10][cH:11]1)[CH3:30]Participants
7
Sources & evidence
- ORD record
- ord-250593dd454a41769e60442d305f3625
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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