HRID2156251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2879

p-Cresol

C7H8O

HCID24905

1H-Indole, 5-bromo-

C8H6BrN

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

HCID22048835

未命名化合物

HCID22049000

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(Cc3c[nH]c4cc(-c5ccccc5F)ccc34)CC2)c1

HCID22049533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b493eb8c47642049b442a992ba0e9c5
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

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