HRID696328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

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

HCID10804475

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

C16H20N2O2S

HCID15619946

2,2,8-Trimethyl-2H,4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde

C11H13NO3

PRODUCTS

生成物

结构：Cc1ncc(CNc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c2c1OC(C)(C)OC2

HCID59852520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-825bec97b17a44e4a776065b6efb5de5
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-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[CH3:34][C:35]1([CH3:48])[O:36][CH2:37][c:38]2[c:39]([c:40]([CH3:46])[n:41][cH:42][c:43]2[CH:44]=[O:45])[O:47]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:53][CH2:54][Cl:55].[Na+:50].[Na+:52].[OH-:51].[OH2:22].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([NH:21][CH2:44][c:43]3[c:38]4[c:39]([c:40]([CH3:46])[n:41][cH:42]3)[O:47][C:35]([CH3:34])([CH3:48])[O:36][CH2:37]4)[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1