HRID824165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]ccc23)CC1

HCID22015386

tert-Butyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

C17H23N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID22015366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f015b53120de4df1975a432a7a178045
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[cH:16][cH:17][nH:18][c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Na+:56].[OH-:55].[OH2:64].[S:33]([O-:34])([OH:35])(=[O:36])=[O:37].[c:23]1([S:29](=[O:30])(=[O:31])[Cl:32])[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[cH:16][cH:17][n:18]([S:29]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)(=[O:30])=[O:31])[c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1