HRID1229045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID166653

Hydride

H-

反应SMILES：CC(C)(C)[O][Al]([O]C(C)(C)C)[O]C(C)(C)C

HCID16684776

未命名化合物

反应SMILES：O=C(O)CCC1C(=O)OCN1NS(=O)(=O)c1ccc2ccccc2c1

HCID18989348

未命名化合物

PRODUCTS

产物

反应SMILES：O=CCCC1C(=O)OCN1NS(=O)(=O)c1ccc2ccccc2c1

HCID18989310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c042785312f8493aa0cb3fee8ddaff87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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