HRID689433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID21111395

3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-iodo-2-pyridinamine

C13H10Cl2FIN2O

结构：COC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID59599416

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1

HCID59599411

Methyl 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-α,α-dimethyl-1H-pyrazole-1-acetate

C21H21Cl2FN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7d1a5ce439741139653d5087c2bc195
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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