HRID198848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75025

1,1'-Biphenyl, 2-iodo-

C12H9I

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：CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc4c(ccn4-c4ccccc4-c4ccccc4)c3)CC2)c1

HCID22048809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-146f4532226f4e7bbae3e5cc7a28cc54
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:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1.[nH:14]1[cH:15][cH:16][c:17]2[cH:18][c:19]([CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([c:30]4[cH:31][c:32]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:33][cH:34][cH:35]4)[CH2:28][CH2:29]3)[cH:20][cH:21][c:22]12>>[c:2]1(-[n:14]2[cH:15][cH:16][c:17]3[cH:18][c:19]([CH2:23][N:24]4[CH2:25][CH2:26][CH:27]([c:30]5[cH:31][c:32]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:33][cH:34][cH:35]5)[CH2:28][CH2:29]4)[cH:20][cH:21][c:22]23)[c:3](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1