HRID2123523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCCNC(=O)N(C)c1ccc(C)c(-c2ccc(C=CC(=O)OCC)cc2)c1

HCID77257643

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1ccc(C)c(-c2ccc(C=CC(=O)O)cc2)c1

HCID67272135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f652aaf99c5438e933f2a56294500ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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