HRID2337285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8028

Tetrahydrofuran

C4H8O

结构：O=C(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

HCID99307

3,5-Bis(phenylmethoxy)benzoic acid

C21H18O4

PRODUCTS

生成物

结构：O=C(Nc1cccc(C(F)(F)F)c1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

HCID10277296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93782660cdb4443fb3fab5e03b6dae9e
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

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