Water → 4-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(2-(methylsulfonyl)ethyl)piperidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

HRID 155702Notes

Reaction equation

HRID 155702 reaction equation
[CH3:37][S:38](=[O:39])(=[O:40])[CH:41]=[CH2:42].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:12]3[n:13][c:14]([C:19]4([O:25][CH3:26])[CH2:20][NH:21][CH2:22][CH2:23][CH2:24]4)[n:15]([CH3:18])[c:16]3[n:17]1)[cH:33][cH:34][cH:35][cH:36]2.[OH2:43]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:12]3[n:13][c:14]([C:19]4([O:25][CH3:26])[CH2:20][N:21]([CH2:42][CH2:41][S:38]([CH3:37])(=[O:39])=[O:40])[CH2:22][CH2:23][CH2:24]4)[n:15]([CH3:18])[c:16]3[n:17]1)[cH:33][cH:34][cH:35][cH:36]2

Participants

4

Reactant 3

HCID 962WaterHCID 19354Methyl vinyl sulfoneHCID 596052822-(2-Isopropylbenzoimidazol-1-yl)-8-(3-methoxypiperidin-3-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Product 1

HCID 596054514-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(2-(methylsulfonyl)ethyl)piperidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-da4aa86195bf499ea874536d965fc5ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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