HRID310679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID9931094

2,2,2-Trichloroethyl [3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamate

C17H20Cl3N3O2

结构：CN(C)C(=O)Cn1ncc2cc(Oc3ccc(F)cc3CN)ccc21

HCID67410237

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CC(=O)N(C)C)c2)cc1

HCID42642210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70bebaf09a7443c7a37be2a29a01daf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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