Hydrochloric Acid → Hydrochloric Acid

HRID 1239737

Reaction equation

HRID 1239737 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[Cl:32][CH2:33][CH2:34][CH:35]1[N:36]([CH3:40])[CH2:37][CH2:38][CH2:39]1.[ClH:31].[K+:45].[K+:46].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:11][c:12]3[n:13][c:14]4[cH:15][cH:16][cH:17][c:18]([CH3:30])[c:19]4[c:20](=[O:29])[n:21]3-[c:22]3[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]3)[c:7]2[n:8][cH:9][n:10]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[ClH:32].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH2:11][c:12]3[n:13][c:14]4[cH:15][cH:16][cH:17][c:18]([CH3:30])[c:19]4[c:20](=[O:29])[n:21]3-[c:22]3[c:23]([O:28][CH2:33][CH2:34][CH:35]4[N:36]([CH3:40])[CH2:37][CH2:38][CH2:39]4)[cH:24][cH:25][cH:26][cH:27]3)[c:7]2[n:8][cH:9][n:10]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2850932-(2-Chloroethyl)-1-methylpyrrolidineHCID 101577452-(6-Aminopurin-9-ylmethyl)-3-(2-hydroxyphenyl)-5-methyl-3H-quinazolin-4-one

Product 2

HCID 313Hydrochloric AcidHCID 101645072-[(6-Aminopurin-9-yl)methyl]-5-methyl-3-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]quinazolin-4-one

Sources & evidence

ORD record
ord-158bb2e5e930492a859bd95e0f0a83e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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