Ethanol → 4-Chloro-7-isopropyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine

HRID 2159871Notes

Reaction equation

HRID 2159871 reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]([CH3:13])[CH3:14])[cH:9][c:10]2[I:11].[Na+:37].[OH2:38]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]([CH3:13])[CH3:14])[cH:9][c:10]2-[c:20]1[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 201262(4-Methoxyphenyl)boronic acidHCID 195974264-Chloro-5-iodo-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 195974834-Chloro-7-isopropyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-493fcd9f4c334588aaab397b39acc366
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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