HRID1235351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：C=CCN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N(C)Cc1ccccc1

HCID22906924

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)N(CC=O)C(=O)OC(C)(C)C

HCID22906960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ce11d167c5247b5a6297be71711c31a
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

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