HRID2131249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

4 次

HCID1061

Phosphate

O4P-3

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

HCID66620752

未命名化合物

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1)C(C)C

HCID66620764

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CC7(CC7)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1)C(C)C

HCID66620650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03c8dce75e1b42b7936d437b820b404a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:78]1[O:79][CH2:80][CH2:81][O:82][CH2:83]1.[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]2)[cH:21][n:22]1)=[O:30].[CH3:32][C:33](=[O:34])[O-:35].[CH3:36][O:37][C:38]([NH:39][CH:40]([CH:41]([CH3:42])[CH3:43])[C:44](=[O:45])[N:46]1[CH2:47][C:48]2([CH2:49][CH2:50]2)[CH2:51][CH:52]1[c:53]1[nH:54][c:55](-[c:58]2[cH:59][c:60]3[cH:61][cH:62][c:63]([Br:68])[cH:64][c:65]3[cH:66][cH:67]2)[cH:56][n:57]1)=[O:69].[K+:31].[K+:75].[K+:76].[K+:77].[P:70]([O-:71])([O-:72])([O-:73])=[O:74].[Pd:84]([Cl:85])[Cl:86]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26](-[c:63]3[cH:62][cH:61][c:60]4[cH:59][c:58](-[c:55]5[nH:54][c:53]([CH:52]6[N:46]([C:44]([CH:40]([NH:39][C:38]([O:37][CH3:36])=[O:69])[CH:41]([CH3:42])[CH3:43])=[O:45])[CH2:47][C:48]7([CH2:49][CH2:50]7)[CH2:51]6)[n:57][cH:56]5)[cH:67][cH:66][c:65]4[cH:64]3)[cH:27][cH:28]2)[cH:21][n:22]1)=[O:30]