HRID211751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCC(NC(=O)OCc1ccccc1)c1cc(C)c(C)cc1C1CCN(C(=O)C2CN(C(C)(C)C)CC2c2ccc(F)cc2F)CC1

HCID178457967

未命名化合物

PRODUCTS

生成物

结构：CCC(N)c1cc(C)c(C)cc1C1CCN(C(=O)C2CN(C(C)(C)C)CC2c2ccc(F)cc2F)CC1

HCID178456743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6636e4ae074c415ca43986fce8252566
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:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH:7]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH:23]([c:26]3[c:27]([CH:34]([CH2:35][CH3:36])[NH:37][C:38](=[O:39])[O:40][CH2:41][c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:28][c:29]([CH3:33])[c:30]([CH3:32])[cH:31]3)[CH2:24][CH2:25]2)[CH:8]([c:10]2[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)[CH2:9]1.[CH3:48][C:49](=[O:50])[OH:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH:7]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH:23]([c:26]3[c:27]([CH:34]([CH2:35][CH3:36])[NH2:37])[cH:28][c:29]([CH3:33])[c:30]([CH3:32])[cH:31]3)[CH2:24][CH2:25]2)[CH:8]([c:10]2[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)[CH2:9]1