Ethylene Glycol → HCID 69045996, compound

HRID 195340Notes

Reaction equation

HRID 195340 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[n:5]([CH3:34])[cH:6][c:7](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][CH:16]([CH2:17][CH2:18][OH:19])[NH:20][C:21]([c:22]3[cH:23][c:24]([Cl:32])[c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]3)=[O:33])[cH:13][cH:14]2)[n:8]1.[CH2:35]([CH2:36][OH:37])[OH:38].[OH2:39].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1.[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]1([CH3:2])([c:4]2[n:5]([CH3:34])[cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:15][CH:16]([CH2:17][CH2:18][OH:19])[NH:20][C:21]([c:22]4[cH:23][c:24]([Cl:32])[c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]4)=[O:33])[cH:13][cH:14]3)[n:8]2)[O:3][CH2:35][CH2:36][O:37]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 67277848HCID 67277848, compound

Product 1

HCID 69045996HCID 69045996, compound

Sources & evidence

ORD record
ord-e23ac03cf5a843d38f8b4f593251c61f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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