Hydrochloric Acid → N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(7-trifluoromethyl-4-quinazolinylamino)benzamide

HRID 161352Notes

Reaction equation

HRID 161352 reaction equation
[CH:43]([Cl:44])([Cl:45])[Cl:46].[ClH:16].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]2[c:28]([NH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:29][cH:30][n:31][c:32]2[cH:33]1)([F:41])[F:42].[NH2:1][CH2:2][CH:3]1[N:4]([CH2:8][CH3:9])[CH2:5][CH2:6][CH2:7]1.[Na+:10].[Na+:11].[O-:12][C:13]([O-:14])=[O:15].[S:17]([Cl:18])([Cl:19])(=[O:20])=[O:21]>>[NH:1]([CH2:2][CH:3]1[N:4]([CH2:8][CH3:9])[CH2:5][CH2:6][CH2:7]1)[C:13](=[O:15])[c:38]1[cH:37][cH:36][c:35]([NH:34][c:28]2[c:27]3[cH:26][cH:25][c:24]([C:23]([F:22])([F:41])[F:42])[cH:33][c:32]3[n:31][cH:30][n:29]2)[cH:40][cH:39]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6212ChloroformHCID 19660Carbonate IonHCID 24648Sulfuryl chlorideHCID 1172952-Aminomethyl-1-ethylpyrrolidineHCID 128067734-Anilino-7-trifluoromethylquinazoline

Product 1

HCID 21273959N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(7-trifluoromethyl-4-quinazolinylamino)benzamide

Sources & evidence

ORD record
ord-cee411af59bb4499ae6f5bfcd767f096
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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