Ethylene Glycol → HCID 57830990, compound

HRID 1134687Notes

Reaction equation

HRID 1134687 reaction equation
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl-:33].[NH4+:34].[OH2:21].[OH2:48].[OH:17][CH2:18][CH2:19][OH:20].[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11]1([C:12]([CH3:13])([CH3:14])[CH3:15])[O:16][CH2:19][CH2:18][O:17]1

Participants

9

Reactant 8

HCID 174Ethylene GlycolHCID 223AmmoniumHCID 312ChlorideHCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 578292181-(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one

Product 1

HCID 57830990HCID 57830990, compound

Sources & evidence

ORD record
ord-46ab2dbddae946579c8409e7c289f7db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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