HRID2150411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21873275

1,4-Oxazepane

C5H11NO

结构：Nc1ncnn2c(CCCBr)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

HCID59231947

未命名化合物

结构：COCC1CCCN1CCCc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn12

HCID68096963

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnn2c(CCCN3CCCOCC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

HCID59232073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97ae12dc93b041c182dee10cae06e58d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[NH2:1][c:2]1[c:3]2[c:4](-[c:5]3[cH:6][cH:7][c:8]([NH:9][C:10]([NH:11][c:12]4[cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20][c:21]4[F:22])=[O:23])[c:24]([F:25])[cH:26]3)[cH:27][c:28]([CH2:29][CH2:30][CH2:31][Br:32])[n:33]2[n:34][cH:35][n:36]1.[NH2:44][c:45]1[n:46][cH:47][n:48][n:49]2[c:50]1[c:51](-[c:65]1[cH:66][c:67]([F:86])[c:68]([NH:71][C:72](=[O:73])[NH:74][c:75]3[c:76]([F:85])[cH:77][cH:78][c:79]([C:81]([F:82])([F:83])[F:84])[cH:80]3)[cH:69][cH:70]1)[cH:52][c:53]2[CH2:54][CH2:55][CH2:56][N:57]1[CH:58]([CH2:62][O:63][CH3:64])[CH2:59][CH2:60][CH2:61]1.[O:37]1[CH2:38][CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1>>[NH2:44][c:45]1[n:46][cH:47][n:48][n:49]2[c:50]1[c:51](-[c:65]1[cH:66][c:67]([F:86])[c:68]([NH:71][C:72](=[O:73])[NH:74][c:75]3[c:76]([F:85])[cH:77][cH:78][c:79]([C:81]([F:82])([F:83])[F:84])[cH:80]3)[cH:69][cH:70]1)[cH:52][c:53]2[CH2:54][CH2:55][CH2:56][N:57]1[CH2:58][CH2:62][O:63][CH2:64][CH2:60][CH2:61]1