HRID92461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID3610155

5-bromobenzothiazole

C7H4BrNS

结构：CC1(C)OB(c2ccc(-n3c(CC4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)OC1(C)C

HCID178431077

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4scnc4c3)cc2F)C1

HCID77275244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9f05ed7f27d4fdfa3e61c6328c96f8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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