HRID2326102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID74956

Tetrahydro-4H-pyran-4-ol

C5H10O2

HCID4574913

未命名化合物

反应SMILES：Fc1cc(F)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1

HCID11695717

未命名化合物

PRODUCTS

产物

反应SMILES：Fc1cc(OC2CCOCC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1

HCID11654626

N-(5-Chloro-2H-1,3-benzodioxol-4-yl)-7-fluoro-5-[(oxan-4-yl)oxy]quinazolin-4-amine

C20H17ClFN3O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ed69662f55154386b78dd2b611467d18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[Cl:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([c:21]1[NH:22][c:23]1[n:24][cH:25][n:26][c:27]3[cH:28][c:29]([F:34])[cH:30][c:31]([F:33])[c:32]13)[O:35][CH2:36][O:37]2.[ClH:14].[K+:6].[OH2:38].[OH:7][CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1>>[O:7]([CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[c:31]1[cH:30][c:29]([F:34])[cH:28][c:27]2[n:26][cH:25][n:24][c:23]([NH:22][c:21]3[c:16]([Cl:15])[cH:17][cH:18][c:19]4[c:20]3[O:35][CH2:36][O:37]4)[c:32]21