Water → (5-Methanesulfonyl-pyridin-3-yl)-propynoic acid ethyl ester

HRID 1222225Notes

Reaction equation

HRID 1222225 reaction equation
[CH3:13][S:14](=[O:15])(=[O:16])[c:17]1[cH:18][n:19][cH:20][c:21]([C:23]#[C:24][C:25]([O:26][CH2:27][CH3:28])([O:29][CH2:33][CH3:34])[O:30][CH2:31][CH3:32])[cH:22]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[OH2:1].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1>>[CH3:13][S:14](=[O:15])(=[O:16])[c:17]1[cH:18][n:19][cH:20][c:21]([C:23]#[C:24][C:25]([O:26][CH2:27][CH3:28])=[O:29])[cH:22]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 225703163-Methanesulfonyl-5-triethoxyprop-1-ynyl-pyridine

Product 1

HCID 67427397(5-Methanesulfonyl-pyridin-3-yl)-propynoic acid ethyl ester

Sources & evidence

ORD record
ord-53ca38429c0b46a4b734c6318f7c3a88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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