HRID690638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(C)OB(c2cnn(S(=O)(=O)c3ccccc3)c2)OC1(C)C

HCID44755203

1-(Benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C15H19BN2O4S

反应SMILES：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(Br)cc1-2

HCID53234974

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(-c3cnn(S(=O)(=O)c4ccccc4)c3)cc1-2

HCID58204192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cea336bb0dc54a3b9535a4ae56037c15
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

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