HRID93597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CN)c1

HCID68470120

Tert-butyl 2-(3-(aminomethyl)-4-(4-(3,4-dichlorobenzamido)phenoxy)phenyl)acetate

C26H26Cl2N2O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNC(=O)c2cccnc2)c1

HCID68467898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e88c3e950db44a99ea39046852cbe65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:41]([c:42]1[cH:43][n:44][cH:45][cH:46][cH:47]1)(=[O:48])[Cl:49].[CH2:50]([Cl:51])[Cl:52].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][c:20]([Cl:25])[c:21]([Cl:24])[cH:22][cH:23]2)=[O:26])[cH:14][cH:15]1.[OH2:53].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][c:20]([Cl:25])[c:21]([Cl:24])[cH:22][cH:23]2)=[O:26])[cH:14][cH:15]1)[C:41]([c:42]1[cH:43][n:44][cH:45][cH:46][cH:47]1)=[O:48]