HRID684201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2)c1

HCID67273062

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2)c1

HCID58089082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-714b42eb2f2e49309f34623bed6063b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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