HRID2336615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc(-c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)cc1

HCID66738325

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(-c2ccc(C(=O)N3CCCC3C(=O)O)cc2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID66738217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34abbebb9e9842dcb295af2fdf81c363
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([C:13]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][cH:22][c:23]([NH:26][C:27](=[O:28])[c:29]4[n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[o:32][c:33]4[C:34]([F:35])([F:36])[F:37])[cH:24][cH:25]3)[cH:18][cH:19]2)=[O:44])[CH2:10][CH2:11][CH2:12]1.[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[O:5]=[C:6]([OH:7])[CH:8]1[N:9]([C:13]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][cH:22][c:23]([NH:26][C:27](=[O:28])[c:29]4[n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[o:32][c:33]4[C:34]([F:35])([F:36])[F:37])[cH:24][cH:25]3)[cH:18][cH:19]2)=[O:44])[CH2:10][CH2:11][CH2:12]1