HRID1209568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID11066000

未命名化合物

结构：O=C(c1ccc(-c2cc[nH]n2)cc1)N1Cc2cccn2Cc2ccccc21

HCID178519422

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccn(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)n2)cc1)N1Cc2cccn2Cc2ccccc21

HCID9851688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41d228b9ccb84424a9592a1988c23d97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[F:28][C:29]([c:30]1[cH:31][cH:32][c:33](-[c:36]2[c:37]([C:42](=[O:43])[Cl:44])[cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1)([F:45])[F:46].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[nH:1]1[n:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]3[CH2:15][c:16]4[n:17]([cH:25][cH:26][cH:27]4)[CH2:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[cH:10][cH:11]2)[cH:4][cH:5]1>>[n:1]1([C:42]([c:37]2[c:36](-[c:33]3[cH:32][cH:31][c:30]([C:29]([F:28])([F:45])[F:46])[cH:35][cH:34]3)[cH:41][cH:40][cH:39][cH:38]2)=[O:43])[n:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]3[CH2:15][c:16]4[n:17]([cH:25][cH:26][cH:27]4)[CH2:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[cH:10][cH:11]2)[cH:4][cH:5]1