HRID103562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID58852292

未命名化合物

HCID68507741

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(C)n(C3CCN(CC4Cc5ccc(NC(=O)OC(C)(C)C)cc5C4)CC3)c2cn1

HCID68507991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0616a66b4da14573b3996391c5121575
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:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([NH:24][c:25]1[cH:26][c:27]2[c:31]([cH:32][cH:33]1)[CH2:30][CH:29]([CH2:34][I:35])[CH2:28]2)=[O:36].[C:37](=[O:38])([O-:39])[O-:40].[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][n:7][c:8]([CH3:10])[cH:9]2)[n:11]1[CH:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[CH3:43][C:44]#[N:45].[Cs+:41].[Cs+:42]>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][n:7][c:8]([CH3:10])[cH:9]2)[n:11]1[CH:12]1[CH2:13][CH2:14][N:15]([CH2:34][CH:29]2[CH2:28][c:27]3[cH:26][c:25]([NH:24][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:36])[cH:33][cH:32][c:31]3[CH2:30]2)[CH2:16][CH2:17]1