HRID2133591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

HCID14980577

Methyl 3-{3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-hydroxy-1H-indol-2-yl}-2,2-dimethylpropanoate

C25H30ClNO3S

HCID19108525

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccc4cnccc4n3)ccc2n1Cc1ccc(Cl)cc1

HCID19108529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9a0fbf0ec7b44119aa8a096a0ffe340
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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