Ethanol → 2-[3-[[2-[[(5-Chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]sulfanyl]propylsulfanyl]ethanol

HRID 1113002Notes

Reaction equation

HRID 1113002 reaction equation
[CH3:31][CH2:32][OH:33].[Cl:1][c:2]1[c:3]([NH:10][CH2:11][c:12]2[n:13][cH:14][cH:15][c:16]([S:19][CH2:20][CH2:21][CH2:22][Cl:23])[c:17]2[CH3:18])[n:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8].[Na+:29].[OH-:28].[OH2:30].[SH:24][CH2:25][CH2:26][OH:27]>>[Cl:1][c:2]1[c:3]([NH:10][CH2:11][c:12]2[n:13][cH:14][cH:15][c:16]([S:19][CH2:20][CH2:21][CH2:22][S:24][CH2:25][CH2:26][OH:27])[c:17]2[CH3:18])[n:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8]

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15672-MercaptoethanolHCID 224607245-chloro-N-[[4-(3-chloropropylsulfanyl)-3-methyl-2-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-amine

Product 1

HCID 224607232-[3-[[2-[[(5-Chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]sulfanyl]propylsulfanyl]ethanol

Sources & evidence

ORD record
ord-b41300d047e4485babd7fdd28694abb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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