Hydrochloric Acid → 4-[(3-Chloro-2-fluoro-phenyl)amino]-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

HRID 2321428Notes

Reaction equation

HRID 2321428 reaction equation
[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:27][CH3:28])[c:9]([O:12][CH:13]3[CH2:14][CH2:15][CH:16]([N:19]4[CH2:20][C:21](=[O:26])[N:22]([CH3:25])[CH2:23][CH2:24]4)[CH2:17][CH2:18]3)[cH:10][c:11]12.[Cl:30][c:31]1[c:32]2[c:33]([cH:34][c:35]([O:36][CH3:37])[c:38]([O:39][CH:40]3[CH2:41][CH2:42][CH:43]([N:44]4[CH2:45][CH2:46][N:47]([CH3:48])[C:49](=[O:50])[CH2:51]4)[CH2:52][CH2:53]3)[cH:54]2)[n:55][cH:56][n:57]1.[Cl:58][c:59]1[c:60]([F:66])[c:61]([NH2:62])[cH:63][cH:64][cH:65]1.[ClH:29].[ClH:74]>>[c:2]1([NH:62][c:61]2[c:60]([F:66])[c:59]([Cl:58])[cH:65][cH:64][cH:63]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:27][CH3:28])[c:9]([O:12][CH:13]3[CH2:14][CH2:15][CH:16]([N:19]4[CH2:20][C:21](=[O:26])[N:22]([CH3:25])[CH2:23][CH2:24]4)[CH2:17][CH2:18]3)[cH:10][c:11]12

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 1140TolueneHCID 750143-Chloro-2-fluoroanilineHCID 468324594-[4-(4-Chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one2×

Product 1

HCID 249996754-[(3-Chloro-2-fluoro-phenyl)amino]-6-[trans-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexyloxy]-7-methoxy-quinazoline

Sources & evidence

ORD record
ord-8dee993fa754414cbce93094385c4caf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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