HRID1573870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2781028

6-(2,2,2-trifluoroethoxy)nicotinic acid

C8H6F3NO3

HCID58126817

2-(Trifluoromethyl)-1H-indole-5-methanamine

C10H9F3N2

结构：O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(C(F)(F)F)nc1

HCID58138928

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(OCC(F)(F)F)nc1

HCID58138933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31bebec663394e4fbf7457f3445408b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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