HRID1567754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7582

Dicyclohexylamine

C12H23N

HCID12182

Ethyl propiolate

C5H6O2

HCID12962

N-Methyl-N-formylhydrazine

C2H6N2O

HCID297549

2,3,4,5-Tetrafluorobenzoic acid

C7H2F4O2

HCID67594257

未命名化合物

PRODUCTS

产物

HCID178472136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6a1127b3689d4c4ebd0fdda11868f249
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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