1,2-Dichloroethane → HCID 178428193, compound
Reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][c:10]3[c:11]([nH:12][c:13](-[c:15]4[n:16][n:17]([CH:25]5[O:26][CH2:27][CH2:28][CH2:29][CH2:30]5)[c:18]5[cH:19][cH:20][c:21]([NH2:24])[cH:22][c:23]45)[n:14]3)[cH:31][cH:32]2)[CH2:6][CH2:7]1.[F:52][C:53]1([F:59])[CH:54]([C:56](=[O:57])[OH:58])[CH2:55]1.[Na+:51].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[n:33]1([OH:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][c:10]3[c:11]([nH:12][c:13](-[c:15]4[n:16][n:17]([CH:25]5[O:26][CH2:27][CH2:28][CH2:29][CH2:30]5)[c:18]5[cH:19][cH:20][c:21]([NH:24][C:56]([CH:54]6[C:53]([F:52])([F:59])[CH2:55]6)=[O:57])[cH:22][c:23]45)[n:14]3)[cH:31][cH:32]2)[CH2:6][CH2:7]1Participants
8
Sources & evidence
- ORD record
- ord-67da9b0f9e074cf1914a6c86545f3c0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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