HRID140176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID600637

2-Methoxy-5-(trifluoromethyl)aniline

C8H8F3NO

HCID23023085

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Sc2ccncc2)c1

HCID10025068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a2510644351485989477e46e5ce6a11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:11][O:12][c:13]1[c:14]([NH2:15])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:38][CH2:39][Cl:40].[Cl:7][C:8]([Cl:9])=[O:10].[OH2:41].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1.[n:24]1[cH:25][cH:26][c:27]([S:30][c:31]2[cH:32][c:33]([NH2:34])[cH:35][cH:36][cH:37]2)[cH:28][cH:29]1>>[C:8](=[O:10])([NH:15][c:14]1[c:13]([O:12][CH3:11])[cH:19][cH:18][c:17]([C:20]([F:21])([F:22])[F:23])[cH:16]1)[NH:34][c:33]1[cH:32][c:31]([S:30][c:27]2[cH:26][cH:25][n:24][cH:29][cH:28]2)[cH:37][cH:36][cH:35]1