Dichloromethane → 8-Azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

HRID 2328322Notes

Reaction equation

HRID 2328322 reaction equation
[CH3:1][n:2]1[c:3]2[n:4][c:5](-[n:29]3[c:30]([CH2:38][CH3:39])[n:31][c:32]4[c:33]3[cH:34][cH:35][cH:36][cH:37]4)[n:6][c:7]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:8]2[n:9][c:10]1[CH2:11][CH:12]1[CH2:13][N:14]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH2:15]1.[Cl:47][CH2:48][Cl:49].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[CH3:1][n:2]1[c:3]2[n:4][c:5](-[n:29]3[c:30]([CH2:38][CH3:39])[n:31][c:32]4[c:33]3[cH:34][cH:35][cH:36][cH:37]4)[n:6][c:7]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:8]2[n:9][c:10]1[CH2:11][CH:12]1[CH2:13][NH:14][CH2:15]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 596056563-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 596052818-Azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Sources & evidence

ORD record
ord-474de02abd734128aa7e06d1364b8851
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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