HRID1573939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5011

Quipazine

C13H15N3

结构：O=C(NCC(F)(F)C(F)(F)F)C1(CCCCBr)c2ccccc2-c2ccccc21

HCID22636275

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(F)(F)C(F)(F)F)C1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

HCID22636176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4d869c1cc1e48ef9dc1b8d4ca58a399
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

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