Bromide ion → (2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone

HRID 1121601Notes

Reaction equation

HRID 1121601 reaction equation
[Al+3:28].[Br-:34].[CH2:35]([Mg+:36])[CH3:37].[CH3:12][O:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[Cl:19])[cH:20][c:21]([O:25][CH3:26])[c:22]1[O:23][CH3:24].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[nH:9][cH:10][cH:11]2.[Cl-:27].[Cl-:29].[Cl-:30].[Cl-:38].[Cl-:40].[Cl:31][CH2:32][Cl:33].[Zn+2:39]>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[nH:9][cH:10][c:11]2[C:17]([c:16]1[cH:15][c:14]([O:13][CH3:12])[c:22]([O:23][CH3:24])[c:21]([O:25][CH3:26])[cH:20]1)=[O:18]

Participants

9

Reactant 8

HCID 259Bromide ionHCID 312Chloride5×HCID 6344DichloromethaneHCID 32051Zinc(2+)HCID 78282Benzoyl chloride, 3,4,5-trimethoxy-HCID 104727Aluminum CationHCID 101033172-Methoxy-7H-pyrrolo[2,3-d]pyrimidineHCID 178461628HCID 178461628, compound

Product 1

HCID 52951494(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone

Sources & evidence

ORD record
ord-cf9c5c50476340648862c6bb7caa74b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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