HRID120899

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

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

HCID2733244

2,4-Difluorobenzylamine

C7H7F2N

HCID11301470

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

C17H15FN2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccc(F)cc4F)c(F)c3)c2cc1OC

HCID15515589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-462d76c26f394669bb7bbce827ea0641
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].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[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:58][CH2:59][Cl:60].[F:36][c:37]1[c:38]([CH2:39][NH2:40])[cH:41][cH:42][c:43]([F:45])[cH:44]1.[Na+:46].[OH:47][C:48](=[O:49])[O-:50]>>[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:40][CH2:39][c:38]4[c:37]([F:36])[cH:44][c:43]([F:45])[cH:42][cH:41]4)[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]