Water → 2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4(3H)-one

HRID 290288Notes

Reaction equation

HRID 290288 reaction equation
[C:2]([O:3][C:4](=[O:5])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[c:13]1[n:14][c:15]2[cH:16][c:17]([Cl:31])[cH:18][cH:19][c:20]2[c:21](=[O:30])[n:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([CH3:6])([CH3:7])[CH3:32].[CH3:33][c:34]1[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[OH2:1]>>[NH2:8][CH:9]([CH:10]([CH3:11])[CH3:12])[c:13]1[n:14][c:15]2[cH:16][c:17]([Cl:31])[cH:18][cH:19][c:20]2[c:21](=[O:30])[n:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 69517950(R)-tert-Butyl (1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)carbamate

Product 1

HCID 222387982-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4(3H)-one

Sources & evidence

ORD record
ord-17169b4bf55b400f92a0230e1ee3b2b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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