HRID112552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19509

2-Pyridinemethanamine

C6H8N2

HCID94429

Triphosgene

C3Cl6O3

HCID11301470

4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-fluorobenzenamine

C17H15FN2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccn4)c(F)c3)c2cc1OC

HCID15515591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50fd6f823e674101be1d5dcc465bdb24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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