HRID287752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID24386

Thionyl chloride

Cl2OS

HCID31347

Sulfolane

C4H8O2S

HCID82267

Sulfamide

H4N2O2S

HCID13490352

5-[1-(Pyridin-3-yl)-1H-indol-3-yl]pentanoic acid

C18H18N2O2

PRODUCTS

生成物

HCID20270200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d7b22364a1a481a9e15310d0102ca8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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