HRID2127094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11009581

未命名化合物

结构：O=Cc1cc(-c2ccc(C3CCCCC3)cc2)n(-c2ccccc2)n1

HCID86261131

未命名化合物

PRODUCTS

生成物

结构：Fc1ccccc1N1CCN(CCNCc2cc(-c3ccc(C4CCCCC4)cc3)n(-c3ccccc3)n2)CC1

HCID16038997

5-(4-Cyclohexylphenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}aminomethyl-1-phenylpyrazole

C34H40FN5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ec379a51e64eafa3ea2b6ca81c3620
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:17]1([c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]([CH:40]=[O:41])[n:32][n:33]3-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:27][cH:28]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][NH2:16])[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][NH:16][CH2:40][c:31]3[cH:30][c:29](-[c:26]4[cH:25][cH:24][c:23]([CH:17]5[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]5)[cH:28][cH:27]4)[n:33](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[n:32]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1