HRID168190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CC=C(c3cccc(NC(C)=O)c3)CC2)C(=O)N1

HCID10121691

未命名化合物

PRODUCTS

生成物

HCID9830390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5d314a6ddeb4b43840399128669182f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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