HRID832389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

结构：CC1(C)OC(=O)C(CCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1

HCID11134319

未命名化合物

HCID12144660

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(CC2(CCCSC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)OC(C)(C)OC2=O)cc(C(C)(C)C)c1

HCID12144661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb7d28b5f80d4f92a1137e04cf107809
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

[Br:1][CH2:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:12]1.[C:50](=[O:51])([O-:52])[O-:53].[CH2:57]([N+:58]([CH2:59][CH3:60])([CH2:61][CH3:62])[CH2:63][CH3:64])[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:17][C:18]1([CH3:49])[O:19][C:20](=[O:48])[CH:21]([CH2:25][CH2:26][CH2:27][S:28][C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[C:22](=[O:24])[O:23]1.[CH3:71][C:72]#[N:73].[Cl-:56].[K+:54].[K+:55]>>[CH2:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:12]1)[C:21]1([CH2:25][CH2:26][CH2:27][S:28][C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[C:20](=[O:48])[O:19][C:18]([CH3:17])([CH3:49])[O:23][C:22]1=[O:24]