1,2-Dichloroethane → HCID 178456299, compound

HRID 119301Notes

Reaction equation

HRID 119301 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:34][C:35](=[O:36])[OH:37].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:30]([CH2:31][CH3:32])=[O:33].[Cl:54][CH2:55][CH2:56][Cl:57].[Na+:51].[Na+:53].[OH-:52].[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][CH3:32])[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 527PropanalHCID 923Sodium ion2×HCID 961HydroxideHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 178527277HCID 178527277, compound

Product 1

HCID 178456299HCID 178456299, compound

Sources & evidence

ORD record
ord-d1b163af987c40be87156264ecaef5f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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