1,2-Dichloroethane → HCID 42602916, compound

HRID 686802Notes

Reaction equation

[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:20](=[O:21])[OH:22])[cH:11][c:12]([CH:14]([C:15]([F:16])([F:17])[F:18])[OH:19])[cH:13]2)[cH:6][cH:7]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl-:57].[F:42][C:43]([CH2:44][NH2:45])([F:46])[F:47].[Li+:58].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:23][n:24]1[c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:20](=[O:22])[NH:45][CH2:44][C:43]([F:42])([F:46])[F:47])[cH:11][c:12]([CH:14]([C:15]([F:16])([F:17])[F:18])[OH:19])[cH:13]2)[cH:6][cH:7]1

Participants

Reactant 11

HCID 111,2-Dichloroethane

HCID 312Chloride

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 8857Ethyl Acetate

HCID 9773Ethanamine, 2,2,2-trifluoro-

HCID 28486Lithium ion

HCID 81531Diisopropylethylamine

HCID 181649HOAt

HCID 68500068HCID 68500068, compound

Product 1

HCID 42602916HCID 42602916, compound

Sources & evidence

ORD record: ord-984e65f631af45648ee2dddf027dfbd3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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