查数据/反应详情

HRID809652

反应详情

EQUATION

反应方程式

HRID 809652 的结构方程式

REACTANTS

反应物

2

结构：Brc1ccnnc1

4-Bromopyridazine

C4H3BrN2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

未命名化合物

PRODUCTS

生成物

1

结构：CC(c1ccc(-c2ccnnc2)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-781655a3dab440ca8fe8e83fa3b6ee7f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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

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