HRID213932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc2c(cc1OC)C(c1ccc(C(=O)O)cc1)=NC1CCN(C)CC21

HCID22335485

未命名化合物

HCID178457326

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)COCc3ccc(C#N)cc3)cc1)=NC1CCN(C)CC21

HCID178465788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6c698d9fec644a5a5c07aca81e90d43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([CH2:36][O:37][CH2:38][CH:39]([CH3:40])[NH:41][CH:42]([CH3:43])[CH3:44])[cH:45][cH:46]1.[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([cH:26][c:27]1[O:28][CH3:29])[C:8]([c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]1)=[N:9][CH:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH:15]21>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([cH:26][c:27]1[O:28][CH3:29])[C:8]([c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[N:41]([CH:39]([CH2:38][O:37][CH2:36][c:35]3[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:46][cH:45]3)[CH3:40])[CH:42]([CH3:43])[CH3:44])[cH:24][cH:25]1)=[N:9][CH:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH:15]21