HRID1558287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6395

Methanesulfonic acid

CH4O3S

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID16791739

未命名化合物

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C1CCC(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1

HCID46199028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7cc4690785f4258a36e7a4cb88ae347
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

[CH3:33][S:34]([OH:35])(=[O:36])=[O:37].[CH3:58][C:59]#[N:60].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[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.[NH2:14][CH:15]1[CH2:16][CH2:17][CH:18]([C:21](=[O:22])[NH2:23])[CH2:19][CH2:20]1.[NH2:38][CH2:39][c:40]1[cH:41][c:42]2[c:46]([cH:47][cH:48]1)[C:45](=[O:49])[N:44]([CH:50]1[C:51](=[O:57])[NH:52][C:53](=[O:56])[CH2:54][CH2:55]1)[CH2:43]2>>[C:2](=[O:3])([NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([C:21](=[O:22])[NH2:23])[CH2:19][CH2:20]1)[NH:38][CH2:39][c:40]1[cH:41][c:42]2[c:46]([cH:47][cH:48]1)[C:45](=[O:49])[N:44]([CH:50]1[C:51](=[O:57])[NH:52][C:53](=[O:56])[CH2:54][CH2:55]1)[CH2:43]2