Isopropanol → N-[5-(dimethylamino)-2-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide

HRID 172867Notes

Reaction equation

HRID 172867 reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][c:31]12.[NH2:1][CH:2]1[C:3](=[O:20])[N:4]([CH:7]2[CH:8]([NH:16][C:17]([CH3:18])=[O:19])[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[C:3](=[O:20])[N:4]([CH:7]2[CH:8]([NH:16][C:17]([CH3:18])=[O:19])[CH2:9][CH:10]([N:13]([CH3:14])[CH3:15])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][c:31]12

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 8471TriethylamineHCID 210750954-Chloro-6-(trifluoromethyl)quinazolineHCID 77515770N-[2-(3-amino-2-oxopyrrolidin-1-yl)-5-(dimethylamino)cyclohexyl]acetamide

Product 1

HCID 74316812N-[5-(dimethylamino)-2-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide

Sources & evidence

ORD record
ord-88d3656c4e9a48d9b57e9e383b7b4585
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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