HRID104354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID10706646

bis(4-methoxyphenyl)chloromethane

C15H15ClO2

结构：CC(C)(C)OC(=O)NC(C)(CO)C(=O)OC(C)(C)C

HCID11119311

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(NC(C)(CO)C(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1

HCID11825571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60d3a8338088406e892147e728272855
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH2:8][OH:9])([CH3:10])[NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])=[O:19].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([CH:47]([Cl:48])[c:49]2[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]2)[cH:45][cH:46]1.[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[CH3:62][CH2:63][OH:64].[OH2:20].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH2:8][OH:9])([CH3:10])[NH:11][CH:47]([c:44]1[cH:43][cH:42][c:41]([O:40][CH3:39])[cH:46][cH:45]1)[c:49]1[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]1)=[O:19]