HRID833407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2777390

4-(Trifluoromethyl)benzimidamide

C8H7F3N2

HCID10130016

Methyl 3-cyclopropyl-3-oxopropanoate

C7H10O3

HCID16756990

Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate

C13H18O4

结构：FC(F)(F)c1ccc(-c2ncc(CCl)c(C3CC3)n2)cn1

HCID21935911

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)nc3)nc2C2CC2)cc1C

HCID67072254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a8a9391e8d24d879116cafbfd37fa34
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH:39]1([C:40](=[O:41])[CH2:42][C:43]([O:44][CH3:45])=[O:46])[CH2:47][CH2:48]1.[Cl:18][CH2:19][c:20]1[c:21]([CH:36]2[CH2:37][CH2:38]2)[n:22][c:23](-[c:26]2[cH:27][n:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[n:24][cH:25]1.[ClH:49].[F:50][C:51]([F:52])([F:53])[c:54]1[cH:55][cH:56][c:57]([C:58]([NH2:59])=[NH:60])[cH:61][cH:62]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:19][c:20]2[c:21]([CH:36]3[CH2:37][CH2:38]3)[n:22][c:23](-[c:26]3[cH:27][n:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[n:24][cH:25]2)[cH:13][cH:14]1)=[O:17]