HRID1121506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2cnc(N)c(-c3nc4ccccc4s3)c2)OC1(C)C

HCID57416513

3-(1,3-Benzothiazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C18H20BN3O2S

HCID58431448

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)C1

HCID67520731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40afb5deca3d40258c21cb3419b7664f
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

[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH:35]([n:37]2[n:38][cH:39][c:40]([I:42])[cH:41]2)[CH2:36]1.[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[K+:47].[K+:48].[OH2:55].[s:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14](-[c:40]3[cH:39][n:38][n:37]([CH:35]4[CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:36]4)[cH:41]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2