Hydrochloric Acid → 2-(3-Cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carboxylic acid methyl ester

HRID 1557251Notes

Reaction equation

HRID 1557251 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:5][CH2:6][c:9]1[cH:10][c:11]2[c:12]([n:13]([CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36])[c:14]([CH2:16][n:17]3[c:18](=[O:31])[n:19]([CH:28]4[CH2:29][CH2:30]4)[c:20](=[O:27])[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[n:15]2)[cH:37][cH:38]1)([CH3:7])([CH3:8])[CH3:39].[CH3:55][O:56][C:57](=[O:58])[c:59]1[cH:60][cH:61][c:62]2[n:63]([CH2:64][CH2:65][CH:66]([CH3:67])[CH3:68])[c:69]([CH2:70][Cl:71])[n:72][c:73]2[cH:74]1.[CH:40]1([n:41]2[c:42](=[O:43])[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[nH:50][c:51]2=[O:52])[CH2:53][CH2:54]1.[ClH:75].[OH2:76]>>[c:9]1([C:57]([O:56][CH3:55])=[O:58])[cH:10][c:11]2[c:12]([n:13]([CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36])[c:14]([CH2:16][n:17]3[c:18](=[O:31])[n:19]([CH:28]4[CH2:29][CH2:30]4)[c:20](=[O:27])[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[n:15]2)[cH:37][cH:38]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 172214493-cyclopropyl-1H-quinazoline-2,4-dioneHCID 697093472-chloromethyl-1-(3-methyl-butyl)-1H-benzoimidazole-5-carboxylic acid methyl esterHCID 69718855[2-(3-cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

Product 1

HCID 444336162-(3-Cyclopropyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-347373c15b214bf182f7a71f03ee1673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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