HRID318659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9740

Cyanoacetic acid

C3H3NO2

结构：CN(C(=O)N(C)C1CN(C(=O)C2CCNCC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123588000

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)C2CCN(C(=O)CC#N)CC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123740372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e94157b1f4146a28bed813e693e2202
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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