HRID2313035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(C#N)Cc2ccc(-c3ccc4c(c3)CNC4=O)cc2)CCOCC1

HCID72328324

未命名化合物

PRODUCTS

生成物

结构：N#CC(Cc1ccc(-c2ccc3c(c2)CNC3=O)cc1)NC(=O)C1(N)CCOCC1

HCID66645132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c3a680b844149beb9a903fb70e1cf32
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

[C:1](#[N:2])[CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:17]([cH:18][cH:19]2)[C:16](=[O:20])[NH:15][CH2:14]3)[cH:9][cH:10]1)[NH:21][C:22](=[O:23])[C:24]1([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[CH:39]([OH:40])=[O:41].[NH3:38].[OH2:42]>>[C:1](#[N:2])[CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:17]([cH:18][cH:19]2)[C:16](=[O:20])[NH:15][CH2:14]3)[cH:9][cH:10]1)[NH:21][C:22](=[O:23])[C:24]1([NH2:30])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1