HRID1117277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

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

HCID10270210

未命名化合物

HCID13308864

(3,4-Dihydro-1H-2-benzopyran-1-yl)acetic acid

C11H12O3

HCID23288921

未命名化合物

HCID23288938

未命名化合物

PRODUCTS

生成物

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

HCID23288820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f245bcb54044f0b87e2d3452760f5fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:15][CH:16]1[CH2:17][N:18]([c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[NH2:29])[cH:30][cH:31]2)[CH2:19][CH:20]([CH3:22])[NH:21]1.[CH3:73][CH:74]1[CH2:75][NH:76][CH2:77][CH:78]([CH3:79])[NH:80]1.[CH:1]1([CH2:11][C:12]([OH:13])=[O:14])[O:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH:32]1([CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][N:38]([c:39]3[cH:40][cH:41][c:42]([C:43]([NH2:44])=[O:45])[cH:46][cH:47]3)[CH2:48][CH2:49]2)[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[CH2:56][CH2:57][O:58]1.[Cl:59][CH2:60][CH2:61][CH:62]1[c:63]2[c:64]([cH:65][cH:66][cH:67][cH:68]2)[CH:69]([CH3:70])[CH2:71][O:72]1>>[CH:1]1([CH2:11][CH2:12][N:21]2[CH:16]([CH3:15])[CH2:17][N:18]([c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[NH2:29])[cH:30][cH:31]3)[CH2:19][CH:20]2[CH3:22])[O:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21