HRID674034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID18450797

3-Bromothieno[3,2-c]pyridin-4-amine

C7H5BrN2S

HCID66824105

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12

HCID53466728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-338ca3b1931a4738bfce54ca1116edb6
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][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19])[CH2:6][CH2:5]2.[Br:25][c:26]1[cH:27][s:28][c:29]2[c:30]1[c:31]([NH2:35])[n:32][cH:33][cH:34]2.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:21][C:22](=[O:23])[O-:24].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[K+:20].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[OH2:47]>>[c:2]1(-[c:26]2[cH:27][s:28][c:29]3[c:30]2[c:31]([NH2:35])[n:32][cH:33][cH:34]3)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19])[CH2:6][CH2:5]2