HRID668872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID66823898

5-Bromothieno[2,3-d]pyrimidin-4-amine

C6H4BrN3S

结构：Cc1cccc(CC(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)c1

HCID66824123

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CC(=O)N2CCc3cc(-c4csc5ncnc(N)c45)ccc32)c1

HCID66823673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da1743b90aa04f2f9b32d1c94f9625a2
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][s:4][c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:12][c:13]1[cH:14][c:15]([CH2:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][c:25]3[cH:26][c:27]([B:31]4[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]4)[cH:28][cH:29][c:30]32)[cH:16][cH:17][cH:18]1.[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[c:2]1(-[c:27]2[cH:26][c:25]3[c:30]([cH:29][cH:28]2)[N:22]([C:20]([CH2:19][c:15]2[cH:14][c:13]([CH3:12])[cH:18][cH:17][cH:16]2)=[O:21])[CH2:23][CH2:24]3)[cH:3][s:4][c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12