HRID1557858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID425305

STK256619

C13H16NOS+

HCID59331347

未命名化合物

HCID59331542

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(CC2CCCC2)C(=O)CCC(=O)c2ccc(C(C)O[Si](C)(C)C(C)(C)C)cn2)nc1

HCID59331453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d227c61bf4a44af3ab4b96e6582dafba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[Si:32]([O:33][CH:34]([CH3:35])[c:36]1[cH:37][cH:38][c:39]([CH:42]=[O:43])[n:40][cH:41]1)([CH3:44])[CH3:45].[CH2:47]([n+:48]1[c:49]([CH3:50])[c:51]([CH2:52][CH2:53][OH:54])[s:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:20][CH2:21][OH:22].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH:1]1([CH2:6][CH:7]([C:8]([CH:9]=[CH2:10])=[O:11])[c:12]2[n:13][cH:14][c:15]([S:18][CH3:19])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:46].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1>>[CH:1]1([CH2:6][CH:7]([C:8]([CH2:9][CH2:10][C:42]([c:39]2[cH:38][cH:37][c:36]([CH:34]([O:33][Si:32]([C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:44])[CH3:45])[CH3:35])[cH:41][n:40]2)=[O:43])=[O:11])[c:12]2[n:13][cH:14][c:15]([S:18][CH3:19])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1