Potassium Cation → (+/-)-3-[7-[3-(2-hydroxy-ethyl)-phenylamino]-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

HRID 940735Notes

Reaction equation

HRID 940735 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:41])[N:11]([c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[CH:12]([CH3:32])[c:13]3[c:14]2[n:15][c:16]([NH:19][c:20]2[cH:21][c:22]([CH2:26][CH2:27][O:28][C:29](=[O:30])[CH3:31])[cH:23][cH:24][cH:25]2)[n:17][cH:18]3)[cH:6][cH:7][cH:8]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][OH:49].[K+:46].[K+:47].[OH2:50]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:41])[N:11]([c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[CH:12]([CH3:32])[c:13]3[c:14]2[n:15][c:16]([NH:19][c:20]2[cH:21][c:22]([CH2:26][CH2:27][OH:28])[cH:23][cH:24][cH:25]2)[n:17][cH:18]3)[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 10256942(+/-)-Acetic acid 2-{3-[8-(3-cyano-phenyl)-6-(4-methoxy-phenyl)-5-methyl-7-oxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylamino]-phenyl}-ethyl ester

Product 1

HCID 9870839(+/-)-3-[7-[3-(2-hydroxy-ethyl)-phenylamino]-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Sources & evidence

ORD record
ord-7a236e24c8254ced90305489c16deb64
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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