HRID1556640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID123114

Cyclopropanecarboxaldehyde

C4H6O

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCC(c5ccccc5)N4)ncn3)cccc2s1

HCID178474405

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCC(c5ccccc5)N4CC4CC4)ncn3)cccc2s1

HCID178474403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c24b90cbfea4f40a8366583547909a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]2[c:8]([n:9]1)[c:10]([O:14][c:15]1[cH:16][c:17](-[c:21]3[c:22]([NH:31][C:32](=[O:33])[CH:34]4[NH:35][CH:36]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:37][CH2:38]4)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[n:18][cH:19][n:20]1)[cH:11][cH:12][cH:13]2.[CH:45]1([CH:48]=[O:49])[CH2:46][CH2:47]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]2[c:8]([n:9]1)[c:10]([O:14][c:15]1[cH:16][c:17](-[c:21]3[c:22]([NH:31][C:32](=[O:33])[CH:34]4[N:35]([CH2:48][CH:45]5[CH2:46][CH2:47]5)[CH:36]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:37][CH2:38]4)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[n:18][cH:19][n:20]1)[cH:11][cH:12][cH:13]2