Dichloromethane → 1-[3-[[2-[2-(1-Hydroxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-1-yl]-2-methylpropan-1-one

HRID 662168Notes

Reaction equation

HRID 662168 reaction equation
[C:43]([CH:44]([CH3:45])[CH3:46])(=[O:47])[Cl:48].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:49][CH2:50][Cl:51].[NH:1]1[CH2:2][CH:3]([CH2:5][c:6]2[n:7]([CH3:33])[c:8]3[n:9][c:10](-[n:21]4[c:22]([CH:30]([CH3:31])[OH:32])[n:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[n:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[c:13]3[n:14]2)[CH2:4]1>>[N:1]1([C:43]([CH:44]([CH3:45])[CH3:46])=[O:47])[CH2:2][CH:3]([CH2:5][c:6]2[n:7]([CH3:33])[c:8]3[n:9][c:10](-[n:21]4[c:22]([CH:30]([CH3:31])[OH:32])[n:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[n:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[c:13]3[n:14]2)[CH2:4]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 62325Isobutyryl chlorideHCID 81531DiisopropylethylamineHCID 723368701-[1-[8-(Azetidin-3-ylmethyl)-9-methyl-6-morpholin-4-ylpurin-2-yl]benzimidazol-2-yl]ethanol

Product 1

HCID 674924761-[3-[[2-[2-(1-Hydroxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-1-yl]-2-methylpropan-1-one

Sources & evidence

ORD record
ord-8d58b105d45f4fe1944e4a4ed448a357
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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