Dichloromethane → 1-[5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-cyclopropyl-1H-quinazoline-2,4-dione

HRID 88604Notes

Reaction equation

HRID 88604 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][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)([CH3:5])([CH3:6])[CH3:39].[CH3:40][O:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:55][CH2:56][Cl:57].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54]>>[NH2:7][CH2:8][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

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 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 208139961-[5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-cyclopropyl-1H-quinazoline-2,4-dione

Sources & evidence

ORD record
ord-adccd8d8521a41348f435167760d5bd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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