1,2-Dichloroethane → HCID 178448512, compound

HRID 698397Notes

Reaction equation

HRID 698397 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:30]([CH2:31][CH2:32][CH3:33])=[O:34].[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:55][CH2:56][CH2:57][Cl:58].[Na+:52].[Na+:54].[OH-:53].[c:1]1([S:11](=[O:12])(=[O:13])[c:14]2[n:15][nH:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH:24]4[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]4)[cH:21][c:22]23)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([S:11](=[O:12])(=[O:13])[c:14]2[n:15][nH:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH:24]4[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:28][CH2:29]4)[cH:21][c:22]23)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 261ButanalHCID 923Sodium ion2×HCID 961HydroxideHCID 6212ChloroformHCID 2724942TriacetoxyborohydrideHCID 178527277HCID 178527277, compound

Product 1

HCID 178448512HCID 178448512, compound

Sources & evidence

ORD record
ord-0cd3def155924a6b95fa9f2053dd78b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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