HRID1539930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID55251

Xenalipin

C14H9F3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID42609144

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

C14H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1

HCID70184229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b63dc9928343f2b8713646de8e9617
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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].[CH2:54]([Cl:55])[Cl:56].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cl-:28].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34](-[c:37]2[c:38]([C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41][cH:42]2)[cH:35][cH:36]1)([F:46])[F:47]>>[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:43]([c:38]3[c:37](-[c:34]4[cH:33][cH:32][c:31]([C:30]([F:29])([F:46])[F:47])[cH:36][cH:35]4)[cH:42][cH:41][cH:40][cH:39]3)=[O:44])[cH:14][c:15]2[CH2:16]1)=[O:18]