HRID187313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID3017761

tert-Butyl hydrogen (2-sulfanylethyl)carbonimidate

C7H15NO2S

结构：OCc1ncccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID9908047

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCSCc1ncccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID9937207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cefbfadee94e44c0922f30cc7ce3e19d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:33](=[O:34])([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH:40][CH2:41][CH2:42][SH:43].[C:44](=[O:45])([O-:46])[O-:47].[C:61]([O:62][CH2:63][CH3:64])(=[O:65])[CH3:66].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[K+:48].[K+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[S:29]([Cl:30])([Cl:31])=[O:32].[c:1]1([C:7]([S:8][c:9]2[c:10]([CH2:15][OH:16])[n:11][cH:12][cH:13][cH:14]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([S:8][c:9]2[c:10]([CH2:15][S:43][CH2:42][CH2:41][NH:40][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[n:11][cH:12][cH:13][cH:14]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1