HRID1205453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID345198

Platinic oxide

O2Pt

结构：CC(C)(C)OC(=O)N1CCC(=Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1

HCID22648188

未命名化合物

PRODUCTS

生成物

HCID22647967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fbf62023349473a80595047bf9fbb24
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

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