HRID1563843

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+

HCID59331542

未命名化合物

结构：CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)c1ccc(C=O)nc1

HCID59331621

未命名化合物

PRODUCTS

生成物

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

HCID59331414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0abed1ab49414cab8dff4cb070f173e7
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]([CH2:35][O:36][Si:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[c:44]1[cH:45][cH:46][c:47]([CH:50]=[O:51])[n:48][cH:49]1)([CH3:52])[CH3:53].[CH2:55]([n+:56]1[c:57]([CH3:58])[c:59]([CH2:60][CH2:61][OH:62])[s:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:20][CH2:21][OH:22].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][CH2:78][N:79]([CH2:80][CH3:81])[CH2:82][CH3:83].[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-:54].[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:50]([c:47]2[cH:46][cH:45][c:44]([CH:34]([O:33][Si:32]([C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:52])[CH3:53])[CH2:35][O:36][Si:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[cH:49][n:48]2)=[O:51])=[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