HRID1213646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID55251

Xenalipin

C14H9F3O2

HCID2756371

tert-Butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

HCID15548823

1,1-Dimethylethyl 3,4-dihydro-6-[[[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]carbonyl]amino]-2(1H)-isoquinolinecarboxylate

C28H27F3N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90843e85310f420897e9af880010f0d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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