HRID1542502

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

结构：CC=CC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID68431188

未命名化合物

PRODUCTS

生成物

结构：CC(CC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1)C(=O)c1ccc(C(C)O[Si](C)(C)C(C)(C)C)cn1

HCID59331224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7a68630c2ef4cd9b4aa9f514485625a
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:34]([CH3:35])([CH3:36])([CH3:37])[Si:38]([O:39][CH:40]([CH3:41])[c:42]1[cH:43][cH:44][c:45]([CH:48]=[O:49])[n:46][cH:47]1)([CH3:50])[CH3:51].[CH2:53]([n+:54]1[c:55]([CH3:56])[c:57]([CH2:58][CH2:59][OH:60])[s:61][cH:62]1)[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:26][CH2:27][OH:28].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[C:21]([CH:22]=[CH:23][CH3:24])=[O:25])[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:52].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[C:21]([CH2:22][CH:23]([CH3:24])[C:48]([c:45]3[cH:44][cH:43][c:42]([CH:40]([O:39][Si:38]([C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:50])[CH3:51])[CH3:41])[cH:47][n:46]3)=[O:49])=[O:25])[cH:11][cH:12]2)[CH2:2][CH2:3]1