HRID677731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1048

Pyrazole

C3H4N2

HCID19660

Carbonate

CO3-2

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(Cl)=C(C=O)CC32)C1

HCID15767886

未命名化合物

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC2n2cccn2)C1

HCID178475306

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(n4cccn4)=C(C=O)CC32)C1

HCID178475320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6cab3b3a73f45d092d28e04c0620490
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][C:13]([CH:25]=[O:26])=[C:14]([Cl:24])[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1.[C:38]([O:39][CH:40]1[CH2:41][CH2:42][C:43]2([CH3:44])[C:45](=[CH:46][CH2:47][CH:48]3[CH:49]2[CH2:50][CH2:51][C:52]2([CH3:53])[CH:54]3[CH2:55][CH2:56][CH:57]2[n:58]2[cH:59][cH:60][cH:61][n:62]2)[CH2:63]1)(=[O:64])[CH3:65].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[nH:27]1[n:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][C:13]([CH:25]=[O:26])=[C:14]([n:27]5[n:28][cH:29][cH:30][cH:31]5)[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1