HRID2347340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID419223

4-Aminotetrahydropyran

C5H11NO

反应SMILES：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CCOS(C)(=O)=O)cc2)n1

HCID86608448

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CCNC3CCOCC3)cc2)n1

HCID58728949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2aa4d02e7a4f4bcea6bed6f53f033194
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:40])[c:14](-[c:18]3[cH:19][n:20]([CH3:39])[c:21](=[O:38])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH2:31][CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:41][cH:42]1.[CH3:51][C:52]#[N:53].[NH2:43][CH:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:40])[c:14](-[c:18]3[cH:19][n:20]([CH3:39])[c:21](=[O:38])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH2:31][CH2:32][NH:43][CH:44]5[CH2:45][CH2:46][O:47][CH2:48][CH2:49]5)[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:41][cH:42]1