HRID197904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID1229844

3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid

C7H6F4N2O2

结构：Oc1cccc(Cl)c1C1CC(c2csc(C3CC[NH2+]CC3)n2)=NO1

HCID178516022

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(C(F)F)cc1C(F)F)N1CCC(c2nc(C3=NOC(c4c(O)cccc4Cl)C3)cs2)CC1

HCID67242423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f06adcc708643938ea2e37a2ccfc6db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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