Hydrochloric Acid → 5-(8-{4-[(Dimethylamino)acetyl]piperazin-1-yl}-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine

HRID 2345927

Reaction equation

HRID 2345927 reaction equation
[CH2:31]([CH:32]([CH3:33])[CH3:34])[n:35]1[c:36]2[n:37][c:38](-[c:56]3[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]3)[n:39][c:40]([N:50]3[CH2:51][CH2:52][O:53][CH2:54][CH2:55]3)[c:41]2[n:42][c:43]1[N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:13][N:14]([CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22])[CH3:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:64][N:65]([CH2:66][C:67](=[O:68])[OH:69])[CH3:70].[CH3:71][OH:72].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[Cl:73][CH2:74][Cl:75].[ClH:12].[ClH:63].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1>>[CH2:31]([CH:32]([CH3:33])[CH3:34])[n:35]1[c:36]2[n:37][c:38](-[c:56]3[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]3)[n:39][c:40]([N:50]3[CH2:51][CH2:52][O:53][CH2:54][CH2:55]3)[c:41]2[n:42][c:43]1[N:44]1[CH2:45][CH2:46][N:47]([C:67]([CH2:66][N:65]([CH3:64])[CH3:70])=[O:68])[CH2:48][CH2:49]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 673N,N-DimethylglycineHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 593335015-(9-Isobutyl-6-morpholino-8-(piperazin-1-yl)-9H-purin-2-yl)pyrimidin-2-amine

Product 1

HCID 453780175-(8-{4-[(Dimethylamino)acetyl]piperazin-1-yl}-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-8f5b05e0c8c441d9a0cca5a4f0ba8eef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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