HRID1200876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNCCc3cccnc3)ccc21

HCID68673002

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)ccc21

HCID44200908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9760cd2ba1b444190c179706867eab6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[Cl:9].[CH2:13]([CH3:14])[N:15]1[c:16]2[c:17]([cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][NH:35][CH2:36][CH2:37][c:38]3[cH:39][n:40][cH:41][cH:42][cH:43]3)[cH:29][cH:30]2)[N:18]([CH3:26])[C:19](=[O:25])[C:20]([CH3:23])([CH3:24])[C:21]1=[O:22].[CH3:10][C:11]#[N:12].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[OH2:57]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:35]([CH2:34][CH2:33][CH2:32][O:31][c:28]1[cH:27][c:17]2[c:16]([cH:30][cH:29]1)[N:15]([CH2:13][CH3:14])[C:21](=[O:22])[C:20]([CH3:23])([CH3:24])[C:19](=[O:25])[N:18]2[CH3:26])[CH2:36][CH2:37][c:38]1[cH:39][n:40][cH:41][cH:42][cH:43]1.[ClH:9]