HRID281174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID19660

Carbonate

CO3-2

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID4574913

未命名化合物

结构：CC(C)(O)C1CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)CC1

HCID58404970

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1

HCID53378158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd6e12bbfe2942559e37faece878ccc2
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:47](=[O:48])([O-:49])[O-:50].[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH:29]([CH3:30])([CH3:31])[c:32]1[n:33][c:34]2[c:35]([nH:36]1)[cH:37][cH:38][cH:39][cH:40]2.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2.[Cs+:51].[Cs+:52].[Na+:46]>>[c:2]1(-[n:33]2[c:32]([CH:29]([CH3:30])[CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2