HRID1134931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID13374594

3-(Benzyloxy)pyridine-2-carbaldehyde

C13H11NO2

结构：CC(Cc1ccc(F)c(F)c1)NC(=O)c1c(N)ccnc1C(F)(F)F

HCID59553882

4-Amino-N-[2-(3,4-difluorophenyl)-1-methylethyl]-2-(trifluoromethyl)-3-pyridinecarboxamide

C16H14F5N3O

PRODUCTS

生成物

结构：CC(Cc1ccc(F)c(F)c1)N1C(=O)c2c(ccnc2C(F)(F)F)NC1c1ncccc1OCc1ccccc1

HCID59553907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d68534bb2eb4403f8abeb800cec3e43b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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