HRID108414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCC(S)C1

HCID53400892

未命名化合物

结构：C[SiH](C)OCC(C1C(=O)NC1CC(=O)O)C(C)(C)C

HCID178504530

未命名化合物

PRODUCTS

生成物

结构：CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCC(SC(=O)CC2NC(=O)C2C(CO[SiH](C)C)C(C)(C)C)C1

HCID178465417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a64ee3a2e10f414fb8c67c2f52937119
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([CH2:6][O:7][SiH:8]([CH3:9])[CH3:10])[CH:11]1[C:12](=[O:19])[NH:13][CH:14]1[CH2:15][C:16](=[O:17])[OH:18].[CH3:63][N:64]([CH3:65])[c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[SH:20][CH:21]1[CH2:22][N:23]([C:26]([CH3:27])=[N:28][C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:24][CH2:25]1.[cH:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([CH2:6][O:7][SiH:8]([CH3:9])[CH3:10])[CH:11]1[C:12](=[O:19])[NH:13][CH:14]1[CH2:15][C:16](=[O:18])[S:20][CH:21]1[CH2:22][N:23]([C:26]([CH3:27])=[N:28][C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:24][CH2:25]1