HRID825298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8195

1-Dodecanethiol

C12H26S

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

HCID77470

Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-

C20H24ClN3O

PRODUCTS

生成物

结构：CCCCCCCCCCCCSc1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1

HCID15250398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea1c0433204145c690e6ff4f3caec81e
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:39](=[O:40])([O-:41])[O-:42].[CH2:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[SH:38].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:23])[c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]3)[n:8]2)[cH:24][cH:25]1.[I-:46].[K+:43].[K+:44].[K+:45].[OH2:47]>>[c:2]1([S:38][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:23])[c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]3)[n:8]2)[cH:24][cH:25]1