HRID188436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID21218627

未命名化合物

PRODUCTS

生成物

结构：O=C1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)CN1

HCID178516785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80bb6bcf91b94e278eaa67ed9d392ca2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:43][c:44]1[cH:45][cH:46][cH:47][cH:48][n+:49]1[CH3:50].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:16])[F:17].[I-:42].[OH2:54].[nH:18]1[cH:19][c:20]([CH2:27][CH:28]2[NH:29][CH2:30][C:31](=[O:34])[NH:32][CH2:33]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:8])[N:29]2[CH:28]([CH2:27][c:20]3[cH:19][nH:18][c:26]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[CH2:33][NH:32][C:31](=[O:34])[CH2:30]2)[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:16])[F:17]