HRID180920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

结构：Cc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID57580540

未命名化合物

结构：Cc1cc(Br)cc(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID66901599

未命名化合物

HCID178525182

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)N1CCC(N2CCCC2COC(=O)c2ccccc2)CC1

HCID178422915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c74aa89a3b134196bc23322241c33269
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

[Br:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([C:7]([N:8]2[CH2:9][CH2:10][CH:11]([N:12]3[CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17][CH2:18]2)=[O:19])[c:20]([CH3:21])[cH:22]1.[CH3:23][c:24]1[cH:25][c:26](-[c:44]2[cH:45][n:46][cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]2)[n:27][c:28]([CH3:43])[c:29]1[C:30](=[O:31])[N:32]1[CH2:33][CH2:34][CH:35]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:36][CH2:37]1.[Cl-:54].[NH:55]1[CH2:56][CH2:57][CH:58]([N:59]2[CH2:60][CH2:61][CH2:62][CH:63]2[CH2:66][O:67][C:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)=[O:75])[CH2:64][CH2:65]1>>[CH3:23][c:24]1[cH:25][c:26](-[c:44]2[cH:45][n:46][cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]2)[n:27][c:28]([CH3:43])[c:29]1[C:30](=[O:31])[N:32]1[CH2:33][CH2:34][CH:35]([N:38]2[CH2:39][CH2:40][CH2:41][CH:42]2[CH2:66][O:67][C:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)=[O:75])[CH2:36][CH2:37]1