HRID1122097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2cc(N)ccc21

HCID59003104

未命名化合物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2c(Br)cccc21

HCID59003164

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2c(N)cccc21

HCID59003204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e254e6c76d77475d8ec563ac20628775
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([c:18]([Br:22])[cH:19][cH:20][cH:21]2)[N:8]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1)[CH2:23][c:24]1[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1.[C:38]([N:41]([CH2:39][c:40]1[cH:42][c:43]([C:44]([F:45])([F:46])[F:47])[cH:48][c:49]([C:50]([F:51])([F:52])[F:53])[cH:54]1)[CH:55]1[CH2:56][CH2:57][CH2:58][N:59]([C:60]([O:61][CH:62]([CH3:63])[CH3:64])=[O:65])[c:66]2[cH:67][c:68]([NH2:69])[cH:70][cH:71][c:72]21)(=[O:73])[CH3:74]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([c:18]([NH2:41])[cH:19][cH:20][cH:21]2)[N:8]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1)[CH2:23][c:24]1[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1