HRID302602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13729

未命名化合物

HCID5360545

Sodium

HCID11600913

4-(HYDROXYMETHYL)PHENYL PIVALATE

C12H16O3

PRODUCTS

生成物

结构：CC(=O)OCC1=C(C(=O)OCc2ccc(OC(=O)C(C)(C)C)cc2)N2C(=O)C(N)C2SC1

HCID54079706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce4ca8ee93254d968d8af48076d0b3f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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