1,2-Dichloroethane → HCID 20817044, compound
Reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:35][C:36](=[O:37])[OH:38].[CH:32]([CH3:33])=[O:34].[Cl:53][CH2:54][CH2:55][Cl:56].[NH2:1][c:2]1[c:3]([F:31])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH:18]3[CH2:19][CH2:20][CH:21]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:11]3[n:12][cH:13][n:14][c:15]([NH2:17])[c:16]23)[cH:6][cH:7]1.[Na+:52]>>[NH:1]([c:2]1[c:3]([F:31])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH:18]3[CH2:19][CH2:20][CH:21]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:11]3[n:12][cH:13][n:14][c:15]([NH2:17])[c:16]23)[cH:6][cH:7]1)[CH2:32][CH3:33]Participants
7
Sources & evidence
- ORD record
- ord-1368c5b7ca3c4278b259c4af0b06c1c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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