HRID699443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12200470

1-(6-Methoxypyridin-2-yl)piperazine

C10H15N3O

结构：O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2Oc2ccccc21

HCID22180203

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4Oc4ccccc43)CC2)n1

HCID22640151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-977fc52d23f5441c87e08b6178e630ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:8]1.[F:15][C:16]([CH2:17][NH:18][C:19](=[O:20])[C:21]1([CH2:35][CH2:36][CH2:37][CH2:38][Br:39])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[O:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21)([F:40])[F:41]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH2:38][CH2:37][CH2:36][CH2:35][C:21]3([C:19]([NH:18][CH2:17][C:16]([F:15])([F:40])[F:41])=[O:20])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[O:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:13][CH2:14]2)[n:8]1