Acetic Acid → 6-Amino-4-[(3-chloro-4-fluorophenyl)amino]-7-cyclopropylmethoxyquinazoline

HRID 2326295Notes

Reaction equation

HRID 2326295 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:33][CH2:34][OH:35].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:23][CH2:24][CH:25]4[CH2:26][CH2:27]4)[c:17]([N+:20]([O-:21])=[O:22])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8].[Fe:36].[OH2:32]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:23][CH2:24][CH:25]4[CH2:26][CH2:27]4)[c:17]([NH2:20])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 15541851N-(3-chloro-4-fluorophenyl)-7-(cyclopropylmethoxy)-6-nitroquinazolin-4-amine

Product 1

HCID 155418526-Amino-4-[(3-chloro-4-fluorophenyl)amino]-7-cyclopropylmethoxyquinazoline

Sources & evidence

ORD record
ord-5551030867b14cd985c49b744fdde8d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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