HRID293420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24813

Phosphoric trichloride

Cl3OP

结构：Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

HCID53630477

4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazoline-4,6-diamine

C21H16ClFN4O

PRODUCTS

生成物

结构：CN1CCCC1=Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

HCID57590588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-206a125a77854236b3a4e38d9f6a945f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:48]([Cl:49])[Cl:50].[CH3:29][N:30]1[C:31](=[O:35])[CH2:32][CH2:33][CH2:34]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][cH:24][c:25]([NH2:28])[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[P:36]([Cl:37])([Cl:38])([Cl:39])=[O:40]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][cH:24][c:25]([N:28]=[C:31]4[N:30]([CH3:29])[CH2:34][CH2:33][CH2:32]4)[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1