HRID315805

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

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(Br)cc2)[nH]1

HCID54775623

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1

HCID58185449

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2)[nH]1

HCID66620063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-827e799ce1c048699d592854ddcb439b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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