Dichloromethane → 1-(3-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-3-methoxyazetidin-1-yl)-2-hydroxy-2-methylpropan-1-one

HRID 1235598Notes

Reaction equation

HRID 1235598 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:11]3[n:12][c:13]([C:18]4([O:22][CH3:23])[CH2:19][NH:20][CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:30][cH:31][cH:32][cH:33]2.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[Cl:67][CH2:68][Cl:69].[OH:34][C:35]([C:36](=[O:37])[OH:38])([CH3:39])[CH3:40].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:11]3[n:12][c:13]([C:18]4([O:22][CH3:23])[CH2:19][N:20]([C:36]([C:35]([OH:34])([CH3:39])[CH3:40])=[O:37])[CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:30][cH:31][cH:32][cH:33]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 116712-Hydroxyisobutyric acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 596058342-(2-Ethylbenzoimidazol-1-yl)-8-(3-methoxyazetidin-3-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Product 1

HCID 596053561-(3-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-3-methoxyazetidin-1-yl)-2-hydroxy-2-methylpropan-1-one

Sources & evidence

ORD record
ord-5c780faae2c349079fe2d1eb48978b16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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