HRID810545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID2735918

Phenol, 4-amino-2-fluoro-

C6H6FNO

HCID4574913

未命名化合物

结构：COCCN(Cc1ccc(-c2cc3nccc(Cl)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919613

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab3aff7436964fa9b92807349c17c150
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:45][S:46]([CH3:47])=[O:48].[Cl:16][c:17]1[c:18]2[c:19]([n:20][cH:21][cH:22]1)[cH:23][c:24](-[c:26]1[cH:27][cH:28][c:29]([CH2:32][N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:41][CH2:42][O:43][CH3:44])[cH:30][n:31]1)[s:25]2.[K+:15].[NH2:1][c:2]1[cH:3][c:4]([F:9])[c:5]([OH:8])[cH:6][cH:7]1.[OH2:49]>>[NH2:1][c:2]1[cH:3][c:4]([F:9])[c:5]([O:8][c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[cH:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([CH2:32][N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:41][CH2:42][O:43][CH3:44])[cH:30][n:31]2)[s:25]3)[cH:6][cH:7]1