HRID1150971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1

HCID21935630

未命名化合物

结构：FC(F)(F)c1ccc(-c2ncc(CCl)c(C3CC3)n2)cc1

HCID21935960

未命名化合物

结构：CCOC(=O)C(C)(C)Oc1cc(NC)cc(C(F)(F)F)c1

HCID67072310

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(N(C)C(=O)Cc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc(C(F)(F)F)c1

HCID86597807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80e618ec68ca4405b6ec3df60f4df9e4
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

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