Hydrochloric Acid → 3-methyl-6-[5-(3-morpholin-4-yl-3-oxoprop-1-enyl)-2-propoxyphenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

HRID 698371Notes

Reaction equation

HRID 698371 reaction equation
[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:1][c:2]1[n:3][n:4]([CH2:27][CH2:28][CH3:29])[c:5]2[n:6][c:7](-[c:12]3[cH:13][c:14]([CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:20][cH:21][c:22]3[O:23][CH2:24][CH2:25][CH3:26])[nH:8][c:9](=[O:11])[c:10]12.[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[Cl:66][CH2:67][Cl:68].[ClH:54].[OH2:43].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][c:2]1[n:3][n:4]([CH2:27][CH2:28][CH3:29])[c:5]2[n:6][c:7](-[c:12]3[cH:13][c:14]([CH:15]=[CH:16][C:17](=[O:18])[N:35]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:20][cH:21][c:22]3[O:23][CH2:24][CH2:25][CH3:26])[nH:8][c:9](=[O:11])[c:10]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8083MorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1360348143-[3-(3-methyl-4-oxo-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]prop-2-enoic acid

Product 1

HCID 1361386773-methyl-6-[5-(3-morpholin-4-yl-3-oxoprop-1-enyl)-2-propoxyphenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

Sources & evidence

ORD record
ord-e73e99fbfdbf4176bbf15cd9aebdd602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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