HRID1138586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1

HCID53440213

1-[(4-Methoxyphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C17H23BN2O3

HCID66871816

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(-c3csc(Oc4ccccn4)n3)cn2)cc1

HCID66889137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d22a9e26a0ea4d5e8c89442c2f78c129
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[s:5][cH:6]1.[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][n:21]2[n:22][cH:23][c:24]([B:26]3[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]3)[cH:25]2)[cH:35][cH:36]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46]>>[c:2]1(-[c:24]2[cH:23][n:22][n:21]([CH2:20][c:19]3[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:36][cH:35]3)[cH:25]2)[n:3][c:4]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[s:5][cH:6]1