HRID2345059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

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

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID11014758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55d21d5675c14221b8f5ac8073b1f8f4
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

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