HRID95440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774541

2-Chloronicotinoyl chloride

C6H3Cl2NO

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(N)cc(C(F)(F)F)c2)CC1

HCID21959419

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(NC(=O)c3cccnc3F)cc(C(F)(F)F)c2)CC1

HCID21959521

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(NC(=O)c3cccnc3Cl)cc(C(F)(F)F)c2)CC1

HCID21959647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67b25ca1f93047199fc1248101523ac7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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