Diisopropylethylamine → 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinazolin-2(1H)-one

HRID 1575657Notes

Reaction equation

HRID 1575657 reaction equation
[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([S:18](=[O:19])(=[O:20])[Cl:21])[cH:17]2)[N:13]([c:22]2[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]2[Cl:28])[C:12](=[O:30])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1.[N:31]1([CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[CH2:32][CH2:33][CH2:34][CH2:35]1>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([S:18](=[O:19])(=[O:20])[N:41]4[CH2:40][CH2:39][N:38]([CH2:37][CH2:36][N:31]5[CH2:32][CH2:33][CH2:34][CH2:35]5)[CH2:43][CH2:42]4)[cH:17]2)[N:13]([c:22]2[c:23]([Cl:29])[cH:24][cH:25][cH:26][c:27]2[Cl:28])[C:12](=[O:30])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 81531DiisopropylethylamineHCID 27372501-[2-(Pyrrolidin-1-yl)ethyl]piperazineHCID 226481335-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-7-sulfonyl chloride

Product 1

HCID 102116425-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinazolin-2(1H)-one

Sources & evidence

ORD record
ord-885caf0bf1cf45a08dcf9390ed32f84b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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