HRID1129151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204131

2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

C13H23BN2O3

结构：Cc1nn(C)c(=O)n1-c1nc2c(s1)CCOc1cc(I)ccc1-2

HCID67050573

未命名化合物

结构：Cc1nn(C)c(=O)n1-c1nc2c(s1)CCOc1cc(Br)ccc1-2

HCID67050588

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(=O)n1-c1nc2c(s1)CCOc1cc(-c3cnn(CC(C)(C)O)c3)ccc1-2

HCID58203747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ad043884edd4cbb9b126b1cc22b4e05
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[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[n:14]3[c:15](=[O:21])[n:16]([CH3:20])[n:17][c:18]3[CH3:19])[s:9][c:10]1[CH2:11][CH2:12][O:13]2.[C:66](=[O:67])([O-:68])[O-:69].[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:47][C:48]([CH2:49][n:50]1[n:51][cH:52][c:53]([B:55]2[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]2)[cH:54]1)([CH3:64])[OH:65].[Cs+:70].[Cs+:71].[I:24][c:25]1[cH:26][cH:27][c:28]2[c:45]([cH:46]1)[O:44][CH2:43][CH2:42][c:41]1[c:29]-2[n:30][c:31](-[n:32]2[c:33]([CH3:34])[n:35][n:36]([CH3:37])[c:38]2=[O:39])[s:40]1.[OH2:72]>>[c:2]1(-[c:53]2[cH:52][n:51][n:50]([CH2:49][C:48]([CH3:47])([CH3:64])[OH:65])[cH:54]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[n:14]3[c:15](=[O:21])[n:16]([CH3:20])[n:17][c:18]3[CH3:19])[s:9][c:10]1[CH2:11][CH2:12][O:13]2