HRID2343094

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

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

HCID522283

2,3,6-Trifluoroaniline

C6H4F3N

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4c(F)ccc(F)c4F)cc3)c2cc1OC

HCID22132754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6462a6ef14c44878bb8e10298d8509f2
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

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