HRID2321722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2735919

Phenol, 4-amino-3-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)c(F)c4)c3s2)nc1)C(=O)OC(C)(C)C

HCID57919486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df5649083dc945f2a21c5b53295ad4e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:46][S:47]([CH3:48])=[O:49].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[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.[Cl:51][CH2:52][Cl:53].[ClH:45].[K+:15].[NH2:1][c:2]1[c:3]([F:9])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[OH2:50]>>[NH2:1][c:2]1[c:3]([F:9])[cH:4][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