HRID2344195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID409979

Octahydro-1H-isoindole

C8H15N

结构：O=C1CCC(N2Cc3c(OCc4ccc(CBr)cc4)cccc3C2=O)C(=O)N1

HCID58389196

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3c(OCc4ccc(CN5CC6CCCCC6C5)cc4)cccc3C2=O)C(=O)N1

HCID67333619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25382db6c4fe4baeae8d2e5b720a11b2
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

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