Hydrochloric Acid → 1-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-(diethylamino)-1-propanone

HRID 2128562Notes

Reaction equation

HRID 2128562 reaction equation
[CH2:29]([CH3:30])[N:31]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH2:37][CH3:38].[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:28].[ClH:39].[NH:1]1[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1.[OH:51][n:52]1[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[N:1]1([C:34]([CH2:33][CH2:32][N:31]([CH2:29][CH3:30])[CH2:37][CH3:38])=[O:35])[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 247454N,N-Diethyl-beta-alanineHCID 223471371-(3-azetanyl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 223472961-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-(diethylamino)-1-propanone

Sources & evidence

ORD record
ord-da98f7b94fe146bdb162a6494e68a36c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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