HRID93666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69676

Benzene, 1-iodo-4-methoxy-

C7H7IO

结构：CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1

HCID22049334

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2ccc3cc(CN4CCC(c5cccc(NC(=O)C(C)C)c5)CC4)ccc32)cc1

HCID22049409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f720dab09cc4c7ba5f65ba998b11a5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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