HRID134360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(I)c2ccoc12

HCID66760164

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC1CCC(n2cc(B(O)O)cn2)CC1

HCID66760678

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2cnn(C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c2ccoc12

HCID66760779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8698d0a311424da88039d7f93f7f576e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[Si:30]([O:31][CH:32]1[CH2:33][CH2:34][CH:35]([n:38]2[n:39][cH:40][c:41]([B:43]([OH:44])[OH:45])[cH:42]2)[CH2:36][CH2:37]1)([CH3:46])[CH3:47].[C:48](=[O:49])([O-:50])[O-:51].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[I:1][c:2]1[c:3]2[c:4]([c:5]([N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1)[o:23][cH:24][cH:25]2.[K+:52].[K+:53].[OH2:60]>>[c:2]1(-[c:41]2[cH:40][n:39][n:38]([CH:35]3[CH2:34][CH2:33][CH:32]([O:31][Si:30]([C:26]([CH3:27])([CH3:28])[CH3:29])([CH3:46])[CH3:47])[CH2:37][CH2:36]3)[cH:42]2)[c:3]2[c:4]([c:5]([N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:6][cH:7]1)[o:23][cH:24][cH:25]2