Water → 5-[[2-[[1-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-5-morpholin-4-ylpyrimidin-4-yl]methyl]benzene-1,3-dicarbonitrile

HRID 134342Notes

Reaction equation

HRID 134342 reaction equation
[Br:41][CH2:42][CH2:43][N:44]=[C:45]=[O:46].[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([NH:19][CH:20]3[CH2:21][CH:22]([CH2:34][CH3:35])[NH:23][c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][c:29]43)[n:10][cH:11][c:12]2[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:36][c:37]([C:39]#[N:40])[cH:38]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[OH2:47]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([NH:19][CH:20]3[CH2:21][CH:22]([CH2:34][CH3:35])[N:23]([C:45]4=[N:44][CH2:43][CH2:42][O:46]4)[c:24]4[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][c:29]43)[n:10][cH:11][c:12]2[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:36][c:37]([C:39]#[N:40])[cH:38]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 42559572-Bromoethyl isocyanateHCID 77304671HCID 77304671, compound

Product 1

HCID 773047275-[[2-[[1-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-5-morpholin-4-ylpyrimidin-4-yl]methyl]benzene-1,3-dicarbonitrile

Sources & evidence

ORD record
ord-ae8c31ae72ee4cf2b62c2d71e16a9371
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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