HRID96140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734620

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2

结构：CC1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CCCCC2)nc(Cl)n1

HCID178431509

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CCCCC2)nc(-c2ccc(N)cc2)n1

HCID178431506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dfc63f6455d4df0832a6bbae097d38b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]2)[O:48]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[CH3:67][CH2:68][OH:69].[Cl:1][c:2]1[n:3][c:4]([N:20]2[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:7]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[c:2]1(-[c:41]2[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]2)[n:3][c:4]([N:20]2[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[S:11](=[O:12])(=[O:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:7]1