Ethylene Glycol → HCID 19986110, compound

HRID 152730Notes

Reaction equation

HRID 152730 reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[O:28]=[S:29](=[O:30])([OH:31])[CH2:32][C:33]12[CH2:34][CH2:35][CH:36]([C:37]1([CH3:38])[CH3:39])[CH2:40][C:41]2=[O:42].[OH2:43].[OH:24][CH2:25][CH2:26][OH:27]>>[O:1]1[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][CH2:25][CH2:26]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 962WaterHCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 112885Octadecanoic acid, 3-oxo-, ethyl ester

Product 1

HCID 19986110HCID 19986110, compound

Sources & evidence

ORD record
ord-292c12aad06b4572aa21398a99148166
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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