Hydrochloric Acid → 2-[2-(3-Chloro-phenylethynyl)-pyrimidin-4-yl]-1-methyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one

HRID 699138Notes

Reaction equation

HRID 699138 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[C:9](=[O:33])[c:10]2[c:11]([n:14]([CH3:32])[c:15](-[c:17]3[n:18][c:19]([C:23]#[C:24][c:25]4[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]4)[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[NH:8]1[C:9](=[O:33])[c:10]2[c:11]([n:14]([CH3:32])[c:15](-[c:17]3[n:18][c:19]([C:23]#[C:24][c:25]4[cH:26][c:27]([Cl:31])[cH:28][cH:29][cH:30]4)[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 672847722-[2-(3-Chloro-phenylethynyl)-pyrimidin-4-yl]-1-methyl-4-oxo-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester

Product 1

HCID 672857682-[2-(3-Chloro-phenylethynyl)-pyrimidin-4-yl]-1-methyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one

Sources & evidence

ORD record
ord-11dd880eb9df4ff7bf48ded57488b9b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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