HRID195016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID141646

Benzene, 4-iodo-1,2-dimethyl-

C8H9I

结构：CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc4[nH]ccc34)CC2)c1

HCID22048637

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2ccc3c(CN4CCC(c5cccc(NC(=O)C(C)C)c5)CC4)cccc32)cc1C

HCID22048676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a08f6644545c4e3a928604b46325bbff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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