Ethylene Glycol → HCID 178509630, compound

HRID 305831Notes

Reaction equation

HRID 305831 reaction equation
[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:47][CH:48]([OH:49])[CH3:50].[Cl:27][c:28]1[cH:29][cH:30][c:31]([SH:34])[cH:32][cH:33]1.[Cu:45][I:46].[I:7][c:8]1[c:9](-[c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:10][c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[nH:12]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[OH:35][CH2:36][CH2:37][OH:38]>>[c:8]1([S:34][c:31]2[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]2)[c:9](-[c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:10][c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[nH:12]1

Participants

9

Reactant 8

HCID 174Ethylene GlycolHCID 813Potassium Cation2×HCID 3776IsopropanolHCID 7815p-ChlorothiophenolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66986216HCID 66986216, compound

Product 1

HCID 178509630HCID 178509630, compound

Sources & evidence

ORD record
ord-061c84abf5f64b6b88c7b45cf53d34d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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