HRID829404

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+

2 次

HCID961

Hydroxide

HO-

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID28123

Tetrahydroborate

H4B-

HCID181113

3-Fluoranthenecarboxaldehyde

C17H10O

HCID14762959

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2

HCID13375382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27768dfa11cd48d2bbc17550a994fefd
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

[BH4-:42].[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:46][OH:47].[NH2:5][C:6]([CH2:7][OH:8])([CH:9]([CH3:10])[OH:11])[CH3:12].[Na+:43].[Na+:45].[OH-:44].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[cH:13]1[cH:14][c:15]([CH:29]=[O:30])[c:16]2[cH:17][cH:18][cH:19][c:20]3[c:28]2[c:27]1-[c:26]1[c:21]-3[cH:22][cH:23][cH:24][cH:25]1>>[NH:5]([C:6]([CH2:7][OH:8])([CH:9]([CH3:10])[OH:11])[CH3:12])[CH2:29][c:15]1[cH:14][cH:13][c:27]2[c:28]3[c:16]1[cH:17][cH:18][cH:19][c:20]3-[c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1-2