HRID192769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

2 次

HCID5083724

Palladium monoxide

OPd

结构：Nc1c(Cl)cc(C(O)CN(CCCCCOCCc2ccccc2)Cc2ccccc2)cc1C(F)(F)F

HCID22164915

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(C(O)CNCCCCCOCCc2ccccc2)cc1C(F)(F)F

HCID22164912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4feae9a13c6d4cffb335692727e8473b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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