HRID2329099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(COC(=O)C(O)N2C(=O)C(NC(=O)Cc3ccccc3)C2SCC(=O)C2OCCC2C)cc1

HCID178491548

未命名化合物

PRODUCTS

生成物

结构：CCCCP(CCCC)(CCCC)=C(C(=O)OCc1ccc(OC)cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SCC(=O)C1OCCC1C

HCID178454884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ab7d500a2b0419fa1ffc86abc8b5977
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

[CH2:53]([CH2:54][CH2:55][CH3:56])[P:57]([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65].[Cl-:40].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1)[N:15]1[C:16](=[O:39])[CH:17]([NH:29][C:30]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[CH:18]1[S:19][CH2:20][C:21](=[O:22])[CH:23]1[O:24][CH2:25][CH2:26][CH:27]1[CH3:28].[S:41]([Cl:42])([Cl:43])=[O:44].[n:45]1[c:46]([CH3:47])[cH:48][cH:49][cH:50][c:51]1[CH3:52]>>[C:2]([C:3](=[O:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1)([N:15]1[C:16](=[O:39])[CH:17]([NH:29][C:30]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[CH:18]1[S:19][CH2:20][C:21](=[O:22])[CH:23]1[O:24][CH2:25][CH2:26][CH:27]1[CH3:28])=[P:57]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65]