HRID191393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16844

Acetamide, 2-chloro-N,N-diethyl-

C6H12ClNO

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1O

HCID22732282

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)COc1cc2c(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)ncnc2cc1OC

HCID22732296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736543bda86342c89596d50f3c2ee12a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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