HRID112424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID53629616

未命名化合物

结构：CC(CO[Si](C)(C)C(C)(C)C)Oc1cc(O)cc(C(=O)Nc2ccn(C(C)C)n2)c1

HCID67109779

未命名化合物

PRODUCTS

生成物

结构：CC(CO[Si](C)(C)C(C)(C)C)Oc1cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)cc(C(=O)Nc2ccn(C(C)C)n2)c1

HCID178460645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a132ca45f812430cac7ca53afbbeb5a5
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

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