Hydrochloric Acid → Hydrochloric Acid

HRID 1206587Notes

Reaction equation

HRID 1206587 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[Cl:32][CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[ClH:31].[K+:44].[K+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][S:13][c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][c:20]([CH3:26])[c:21]4[c:22](=[O:25])[n:23]3[CH3:24])[cH:27][cH:28]2)[cH:29][cH:30]1>>[ClH:32].[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][S:13][c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][c:20]([CH3:26])[c:21]4[c:22](=[O:25])[n:23]3[CH3:24])[cH:27][cH:28]2)[cH:29][cH:30]1)[CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidineHCID 189188882-[4-(4-hydroxybenzoyl)benzylthio]-3,5-dimethyl-4(3H)-quinazolinone

Product 2

HCID 313Hydrochloric AcidHCID 189193393,5-Dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one

Sources & evidence

ORD record
ord-526f29c39099452bb46bb82f041ba26d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…