HRID91770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID702

Ethanol

C2H6O

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID104730

Cobalt

结构：Cc1nc2ccc3c(c2o1)C(O)(CC#N)C(C(C)C)C3

HCID57781236

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCC1(O)c2c(ccc3nc(C)oc23)CC1C(C)C

HCID57781223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c700931eec024b6d94dfb3f4f4589b60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:21]([CH3:22])[OH:23].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][C:33]([O:34][C:35](=[O:36])[CH3:37])=[O:38].[CH3:44][CH2:45][OH:46].[Co:47].[NH3:24].[Na+:39].[OH:1][C:2]1([CH2:18][C:19]#[N:20])[CH:3]([CH:15]([CH3:16])[CH3:17])[CH2:4][c:5]2[cH:6][cH:7][c:8]3[n:9][c:10]([CH3:14])[o:11][c:12]3[c:13]21.[OH:40][C:41](=[O:42])[O-:43]>>[OH:1][C:2]1([CH2:18][CH2:19][NH:20][C:21]([CH3:22])=[O:23])[CH:3]([CH:15]([CH3:16])[CH3:17])[CH2:4][c:5]2[cH:6][cH:7][c:8]3[n:9][c:10]([CH3:14])[o:11][c:12]3[c:13]21