HRID1218185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9731

4-Fluoroaniline

C6H6FN

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Br)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430327

未命名化合物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430346

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Nc4ccc(F)cc4)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fa0d6929940434f93dd5a10d08211c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1.[F:41][c:42]1[cH:43][cH:44][c:45]([NH:46][c:47]2[n:48][cH:49][c:50]([C:51]([N:52]([CH3:53])[c:54]3[cH:55][cH:56][c:57]([CH2:58][N:59]4[CH2:60][CH2:61][N:62]([C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])[CH:70]([CH3:71])[CH2:72]4)[cH:73][cH:74]3)=[O:75])[cH:76][cH:77]2)[cH:78][cH:79]1.[NH2:33][c:34]1[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]1>>[c:2]1([NH:33][c:34]2[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1