Acetic Acid → 2-(2-Chloro-4-methylsulfanylphenyl)-3-(2-hydroxyethyl)-7-methyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

HRID 1566253Notes

Reaction equation

HRID 1566253 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:5][c:6]1[c:7](-[c:14]2[n:15][n:16]3[c:17]([c:18](=[O:29])[n:19]2[CH2:20][CH2:21][O:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][O:28]2)[c:30]([CH:34]([CH3:35])[CH3:36])[cH:31][c:32]3[CH3:33])[cH:8][cH:9][c:10]([S:12][CH3:13])[cH:11]1>>[Cl:5][c:6]1[c:7](-[c:14]2[n:15][n:16]3[c:17]([c:18](=[O:29])[n:19]2[CH2:20][CH2:21][OH:22])[c:30]([CH:34]([CH3:35])[CH3:36])[cH:31][c:32]3[CH3:33])[cH:8][cH:9][c:10]([S:12][CH3:13])[cH:11]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 685309852-(2-Chloro-4-methylsulfanylphenyl)-7-methyl-3-[2-(oxan-2-yloxy)ethyl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

Product 1

HCID 685308922-(2-Chloro-4-methylsulfanylphenyl)-3-(2-hydroxyethyl)-7-methyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

Sources & evidence

ORD record
ord-cc327f92f90048a0a16688e6750da55d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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