HRID1204842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10945826

[1,1'-Biphenyl]-2-carboxylic acid, 6-methyl-4'-(trifluoromethyl)-

C15H11F3O2

HCID42609144

tert-Butyl (5-amino-2,3-dihydro-1H-inden-2-yl)carbamate

C14H20N2O2

PRODUCTS

生成物

结构：Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c1-c1ccc(C(F)(F)F)cc1

HCID69700046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a9f9f5f13e492b9d0f4041c098d9d5
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([NH2:17])[cH:14][c:15]2[CH2:16]1)=[O:18].[CH2:55]([Cl:56])[Cl:57].[CH3:29][c:30]1[cH:31][cH:32][cH:33][c:34]([C:46](=[O:47])[OH:48])[c:35]1-[c:36]1[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cl-:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:17][C:46]([c:34]3[cH:33][cH:32][cH:31][c:30]([CH3:29])[c:35]3-[c:36]3[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]3)=[O:47])[cH:14][c:15]2[CH2:16]1)=[O:18]