HRID811351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CCCCCC(=O)Nc1ccc2c(c1)N(Cc1cccc(C(=O)OC)c1)CCO2

HCID23365863

未命名化合物

PRODUCTS

生成物

HCID54048005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72ad75c70ca348a58e622d5c5404415a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:4](=[O:5])([CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[NH:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:32]1)[N:17]([CH2:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30][cH:31]1)[CH2:18][CH2:19][O:20]2.[CH3:33][OH:34].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Li+:3].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:2].[OH2:1].[OH2:40]>>[NH2:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:32]1)[N:17]([CH2:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30][cH:31]1)[CH2:18][CH2:19][O:20]2