HRID290331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID53167

1-Methylpiperazine

C5H12N2

结构：COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCl

HCID57756383

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCN1CCN(C)CC1

HCID57756511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2481039d1e56497c82a938ec1e9c8b3f
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:41](=[O:42])([O-:43])[O-:44].[CH3:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:32][CH3:33])[cH:8][c:9]2[c:10]([O:16][c:17]3[c:18]([C:24](=[O:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[cH:11][cH:12][n:13][c:14]2[cH:15]1.[K+:45].[K+:46].[OH2:47]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[c:7]([O:32][CH3:33])[cH:8][c:9]2[c:10]([O:16][c:17]3[c:18]([C:24](=[O:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[cH:11][cH:12][n:13][c:14]2[cH:15]1)[N:38]1[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]1