HRID687680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1050

Pyridoxal

C8H9NO3

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N)cc1

HCID10804475

N-tert-butyl-4'-aminobiphenyl-2-sulfonamide

C16H20N2O2S

PRODUCTS

生成物

结构：Cc1ncc(CO)c(CNc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c1O

HCID59852530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0b19c63ade840d8871165eaa9708668
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

[BH4-:47].[C:14]([CH3:15])([CH3:16])([CH3:17])[NH:18][S:19](=[O:20])(=[O:21])[c:22]1[c:23](-[c:28]2[cH:29][cH:30][c:31]([NH2:34])[cH:32][cH:33]2)[cH:24][cH:25][cH:26][cH:27]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][OH:57].[CH:1](=[O:2])[c:3]1[c:4]([CH2:5][OH:6])[cH:7][n:8][c:9]([CH3:10])[c:11]1[OH:12].[ClH:13].[Na+:48].[OH2:35].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[CH2:1]([c:3]1[c:4]([CH2:5][OH:6])[cH:7][n:8][c:9]([CH3:10])[c:11]1[OH:12])[NH:34][c:31]1[cH:30][cH:29][c:28](-[c:23]2[c:22]([S:19]([NH:18][C:14]([CH3:15])([CH3:16])[CH3:17])(=[O:20])=[O:21])[cH:27][cH:26][cH:25][cH:24]2)[cH:33][cH:32]1