1,2-Dichloroethane → HCID 163743050, compound

HRID 1205664Notes

Reaction equation

HRID 1205664 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH2:32]=[O:33].[Cl:48][CH2:49][CH2:50][Cl:51].[F:1][c:2]1[c:3]([CH2:9][CH2:10][CH:11]2[CH2:12][N:13]([C:17]3=[N:18][c:19]4[c:20]([cH:28][cH:29][cH:30][cH:31]4)[NH:21][c:22]4[s:23][c:24]([CH3:27])[cH:25][c:26]43)[CH2:14][CH2:15][NH:16]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:47]>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][CH:11]2[CH2:12][N:13]([C:17]3=[N:18][c:19]4[c:20]([cH:28][cH:29][cH:30][cH:31]4)[NH:21][c:22]4[s:23][c:24]([CH3:27])[cH:25][c:26]43)[CH2:14][CH2:15][N:16]2[CH3:34])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Sources & evidence

ORD record
ord-a433a9ae0f0f4730bd860afe2edd4a10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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