HRID665628

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

HCID77539446

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)COCCCc3ccccc3)cc1)=NC1CCN(C)CC21

HCID178465791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ff16cce0c6b40cd92440e4316c22978
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

[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.[CH:30]([CH3:31])([CH3:32])[NH:33][CH:34]([CH2:35][O:36][CH2:37][CH2:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH3:46]>>[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:23])[N:33]([CH:30]([CH3:31])[CH3:32])[CH:34]([CH2:35][O:36][CH2:37][CH2:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH3:46])[cH:24][cH:25]1)=[N:9][CH:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH:15]21