HRID1203348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3829053

α,α-Diethylbenzenemethanamine

C11H17N

结构：CC12CCC(C#N)=CC1=CCC1C2CCC2(C)C(C(=O)Sc3ccccn3)CCC12

HCID178421222

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(NC(=O)C1CCC2C3CC=C4C=C(C#N)CCC4(C)C3CCC12C)c1ccccc1

HCID178446463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faa76894f9b04a15b67ecbb55aeee67c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:22]([S:23][c:24]5[cH:25][cH:26][cH:27][cH:28][n:29]5)=[O:30])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1.[CH2:31]([CH3:32])[C:33]([CH2:34][CH3:35])([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH2:42]>>[C:1](#[N:2])[C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:22](=[O:30])[NH:42][C:33]([CH2:31][CH3:32])([CH2:34][CH3:35])[c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1