HRID2337312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69676

Benzene, 1-iodo-4-methoxy-

C7H7IO

HCID9794286

N-(4-methylphenyl)indole

C15H13N

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-3b9b78ed063e4076b690e66aa1c164ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5](-[n:6]2[c:7]3[c:8]([cH:9][cH:10][cH:11][cH:12]3)[cH:13][cH:14]2)[cH:15][cH:16]1.[I:45][c:46]1[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]1.[nH:17]1[cH:18][cH:19][c:20]2[cH:21][c:22]([CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([c:33]4[cH:34][c:35]([NH:39][C:40]([CH:41]([CH3:42])[CH3:43])=[O:44])[cH:36][cH:37][cH:38]4)[CH2:31][CH2:32]3)[cH:23][cH:24][c:25]12>>[n:17]1(-[c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:18][cH:19][c:20]2[cH:21][c:22]([CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([c:33]4[cH:34][c:35]([NH:39][C:40]([CH:41]([CH3:42])[CH3:43])=[O:44])[cH:36][cH:37][cH:38]4)[CH2:31][CH2:32]3)[cH:23][cH:24][c:25]12