Methanol → 5-[8-(4-Acetyl-3,3-dimethylpiperazin-1-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl]pyrimidin-2-amine

HRID 197923Notes

Reaction equation

HRID 197923 reaction equation
[CH2:15]([Cl:16])[Cl:17].[CH2:55]([Cl:56])[Cl:57].[CH3:18][C:19]1([CH3:52])[CH2:20][N:21]([c:25]2[n:26]([CH2:47][C:48]([F:49])([F:50])[F:51])[c:27]3[n:28][c:29](-[c:40]4[cH:41][n:42][c:43]([NH2:46])[n:44][cH:45]4)[n:30][c:31]([N:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[c:32]3[n:33]2)[CH2:22][CH2:23][NH:24]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:53][OH:54].[CH3:8][C:9](=[O:10])[O:11][C:12](=[O:13])[CH3:14]>>[CH3:8][C:9](=[O:10])[N:24]1[C:19]([CH3:18])([CH3:52])[CH2:20][N:21]([c:25]2[n:26]([CH2:47][C:48]([F:49])([F:50])[F:51])[c:27]3[n:28][c:29](-[c:40]4[cH:41][n:42][c:43]([NH2:46])[n:44][cH:45]4)[n:30][c:31]([N:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[c:32]3[n:33]2)[CH2:22][CH2:23]1

Participants

6

Reactant 5

HCID 887MethanolHCID 6344Dichloromethane2×HCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 593335975-[8-(3,3-Dimethylpiperazin-1-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl]pyrimidin-2-amine

Product 1

HCID 593336685-[8-(4-Acetyl-3,3-dimethylpiperazin-1-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-5e234f2a69d740bfb8e4f68af6e899b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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