HRID1539113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

HCID120231

4-Fluorobenzenesulfonamide

C6H6FNO2S

结构：NC(=O)c1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1

HCID10270210

未命名化合物

HCID23288831

未命名化合物

HCID23288938

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(S(N)(=O)=O)cc2)CC(C)N1CCC1OCCc2ccccc21

HCID23288869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d82edc7d4e784a6eb7464f2e65478f0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH2:18])[cH:13][cH:14]2)[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:71][CH:72]1[CH2:73][NH:74][CH2:75][CH:76]([CH3:77])[NH:78]1.[CH:19]1([CH2:29][CH2:30][N:31]2[CH2:32][CH2:33][N:34]([c:35]3[cH:36][cH:37][c:38]([C:39]([NH2:40])=[O:41])[cH:42][cH:43]3)[CH2:44][CH2:45]2)[O:20][CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]21.[Cl:57][CH2:58][CH2:59][CH:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[CH:67]([CH3:68])[CH2:69][O:70]1.[F:46][c:47]1[cH:48][cH:49][c:50]([S:51]([NH2:52])(=[O:53])=[O:54])[cH:55][cH:56]1>>[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH2:18])[cH:13][cH:14]2)[CH2:5][CH:6]([CH3:8])[N:7]1[CH2:30][CH2:29][CH:19]1[O:20][CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]21