HRID200297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID7918

Acetic anhydride

C4H6O3

结构：CC(N)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

HCID67165668

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(C)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

HCID178474791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a61ff96368e849b4936705ed48f3ef74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:30][C:31](=[O:32])[O:33][C:34](=[O:35])[CH3:36].[CH3:38][C:39](=[O:40])[O-:41].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:28])([CH3:29])[CH2:22][N:23]2[CH2:24][CH:25]([CH3:26])[NH2:27])[cH:14]1.[NH4+:37]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:28])([CH3:29])[CH2:22][N:23]2[CH2:24][CH:25]([CH3:26])[NH:27][C:31]([CH3:30])=[O:32])[cH:14]1