HRID1125199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9743

3-Fluorophenol

C6H5FO

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430335

未命名化合物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430347

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67176fc554ad4a9dadd530f35ff6e36a
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

[Cl: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])[cH:6][n:7]1.[F:33][c:34]1[cH:35][c:36]([OH:40])[cH:37][cH:38][cH:39]1.[F:41][c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[O:48][c:49]1[n:50][cH:51][c:52]([C:53]([N:54]([CH3:55])[c:56]2[cH:57][cH:58][c:59]([CH2:60][N:61]3[CH2:62][CH2:63][N:64]([C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71])[CH:72]([CH3:73])[CH2:74]3)[cH:75][cH:76]2)=[O:77])[cH:78][cH:79]1>>[c:2]1([O:40][c:36]2[cH:35][c:34]([F:33])[cH:39][cH:38][cH:37]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])[cH:6][n:7]1