Ammonium → 2-(6-(2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol

HRID 678069Notes

Reaction equation

HRID 678069 reaction equation
[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:34][Mg:35][Cl:36].[CH3:46][OH:47].[Cl-:37].[Cl:40][CH2:41][Cl:42].[Cl:43][CH2:44][Cl:45].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]4[n:18]([n:19]2)[c:20]([C:23]([CH3:24])=[O:25])[n:21][n:22]4)[CH2:26][CH2:27][CH2:28]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH4+:38].[OH2:39]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]4[n:18]([n:19]2)[c:20]([C:23]([CH3:24])([OH:25])[CH3:29])[n:21][n:22]4)[CH2:26][CH2:27][CH2:28]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 6344Dichloromethane2×HCID 8028TetrahydrofuranHCID 579298461-(6-(2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanoneHCID 178418332HCID 178418332, compound

Product 1

HCID 251679712-(6-(2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-ol

Sources & evidence

ORD record
ord-aef067489b7b4e9d9e7019d406869c37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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