HRID1570999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12379801

Methyl 6-chloropyridazine-3-carboxylate

C6H5ClN2O2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696986

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)nn1

HCID66696989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a2c7536b1a5441da55bf81afaf225ef
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

[CH3:28][O:29][C:30](=[O:31])[c:32]1[n:33][n:34][c:35]([Cl:38])[cH:36][cH:37]1.[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([O:8][c:35]2[n:34][n:33][c:32]([C:30]([O:29][CH3:28])=[O:31])[cH:37][cH:36]2)[cH:7]1