HRID200469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6340

Ethane, iodo-

C2H5I

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CCc1nn(-c2c(C)cc(Br)cc2C)c(CC)c1Cc1c(O)ccc2ccccc12

HCID53714560

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2ccccc2c1Cc1c(CC)nn(-c2c(C)cc(Br)cc2C)c1CC

HCID21837301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a82547d66c9b4d0ba3c9b14aca391366
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

[Br:3][c:4]1[cH:5][c:6]([CH3:32])[c:7](-[n:11]2[n:12][c:13]([CH2:30][CH3:31])[c:14]([CH2:18][c:19]3[c:20]([OH:29])[cH:21][cH:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]34)[c:15]2[CH2:16][CH3:17])[c:8]([CH3:10])[cH:9]1.[H-:1].[I:33][CH2:34][CH3:35].[Na+:2].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[Br:3][c:4]1[cH:5][c:6]([CH3:32])[c:7](-[n:11]2[n:12][c:13]([CH2:30][CH3:31])[c:14]([CH2:18][c:19]3[c:20]([O:29][CH2:34][CH3:35])[cH:21][cH:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]34)[c:15]2[CH2:16][CH3:17])[c:8]([CH3:10])[cH:9]1