HRID1574903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

反应SMILES：Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2)n(C)c1=O

HCID325372

未命名化合物

HCID21114275

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1c(=O)c2c(nc(N3CCNCC(O)C3)n2Cc2ccccc2)n(C)c1=O

HCID10293403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2712d0d7f6dd4bcabf23f788d52d1759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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