Methanol → 1-[5-(2,6-dimethyl-phenyl)-1-(6-ethyl-2-methoxy-pyrimidin-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-ethyl-butan-1-ol

HRID 672088Notes

Reaction equation

HRID 672088 reaction equation
[C:1]([O-:2])([O-:3])=[O:4].[CH3:40][OH:41].[Cl:7][c:8]1[n:9][c:10]([CH2:38][CH3:39])[cH:11][c:12](-[n:14]2[cH:15][c:16]([CH:31]([CH:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[OH:37])[c:17]3[c:18]2[cH:19][n:20][c:21](-[c:23]2[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]2[CH3:29])[cH:22]3)[n:13]1.[Cs+:5].[Cs+:6]>>[CH3:1][O:4][c:8]1[n:9][c:10]([CH2:38][CH3:39])[cH:11][c:12](-[n:14]2[cH:15][c:16]([CH:31]([CH:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[OH:37])[c:17]3[c:18]2[cH:19][n:20][c:21](-[c:23]2[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]2[CH3:29])[cH:22]3)[n:13]1

Participants

5

Reactant 4

HCID 887MethanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 866240821-[1-(2-chloro-6-ethyl-pyrimidin-4-yl)-5-(2,6-dimethyl-phenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-ethyl-butan-1-ol

Product 1

HCID 582699311-[5-(2,6-dimethyl-phenyl)-1-(6-ethyl-2-methoxy-pyrimidin-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-ethyl-butan-1-ol

Sources & evidence

ORD record
ord-ed69dde2f6ab4dd2862a96a783cabbfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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