HRID147341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839227

未命名化合物

结构：O=C(N1C2CCC1CC(C1c3ccccc3Oc3cc(-c4nnn[nH]4)ccc31)C2)C(F)(F)F

HCID178521660

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：COc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2

HCID11689821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-177988cef693453683fbcd4b15ef2168
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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