Bromide ion → 3-benzyl-5-chloro-2-(cyclopropyl-hydroxy-methyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

HRID 1214236Notes

Reaction equation

HRID 1214236 reaction equation
[Br-:1].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[n:13]1[c:14]([CH:24]=[O:25])[n:15][n:16]2[c:17]([c:18]1=[O:19])[c:20]([Cl:23])[cH:21][cH:22]2.[CH:2]1([Mg+:5])[CH2:3][CH2:4]1.[Cl:26][CH2:27][Cl:28]>>[CH:2]1([CH:24]([c:14]2[n:13]([CH2:6][c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)[c:18](=[O:19])[c:17]3[n:16]([n:15]2)[cH:22][cH:21][c:20]3[Cl:23])[OH:25])[CH2:3][CH2:4]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 6344DichloromethaneHCID 221800693-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehydeHCID 178507030HCID 178507030, compound

Product 1

HCID 221800653-benzyl-5-chloro-2-(cyclopropyl-hydroxy-methyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Sources & evidence

ORD record
ord-bddb2df12bde45f3b5d947cbcb94e7fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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