HRID1219167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6395

Methanesulfonic acid

CH4O3S

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID18437373

4-Methyloxan-4-amine

C6H13NO

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：CC1(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCOCC1

HCID46198886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03724c14e86a4628ac20327a8501c6a3
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

[CH3:14][C:15]1([NH2:21])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1.[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH3:57][C:58]#[N:59].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:9]([O-:10])=[O:11])[cH:12][cH:13]1.[ClH:56].[NH2:36][CH2:37][c:38]1[cH:39][c:40]2[c:44]([cH:45][cH:46]1)[C:43](=[O:47])[N:42]([CH:48]1[C:49](=[O:55])[NH:50][C:51](=[O:54])[CH2:52][CH2:53]1)[CH2:41]2>>[C:2](=[O:3])([NH:21][C:15]1([CH3:14])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)[NH:36][CH2:37][c:38]1[cH:39][c:40]2[c:44]([cH:45][cH:46]1)[C:43](=[O:47])[N:42]([CH:48]1[C:49](=[O:55])[NH:50][C:51](=[O:54])[CH2:52][CH2:53]1)[CH2:41]2