HRID948597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID24387

Phosphorous trichloride

Cl3P

HCID31374

Dimethylacetamide

C4H9NO

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(C)Sc3nnc(C)s3)CS(=O)C12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54440769

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(C)Sc3nnc(C)s3)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53658557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5faaadff1c94cfd918153aed563f82d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:79](=[O:80])([OH:81])[O-:82].[CH2:84]([Cl:85])[Cl:86].[CH3:69][N:70]([CH3:71])[C:72](=[O:73])[CH3:74].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([CH:25]=[C:26]([CH3:27])[S:28][c:29]2[n:30][n:31][c:32]([CH3:34])[s:33]2)[CH2:23][S:22](=[O:35])[CH:21]2[N:18]1[C:19](=[O:68])[CH:20]2[NH:36][C:37]([C:38]([c:39]1[n:40][c:41]([NH:44][C:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[s:42][cH:43]1)=[N:64][O:65][CH3:66])=[O:67].[Cl:75][P:76]([Cl:77])[Cl:78].[Na+:83].[OH2:87]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([CH:25]=[C:26]([CH3:27])[S:28][c:29]2[n:30][n:31][c:32]([CH3:34])[s:33]2)[CH2:23][S:22][CH:21]2[N:18]1[C:19](=[O:68])[CH:20]2[NH:36][C:37]([C:38]([c:39]1[n:40][c:41]([NH:44][C:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[s:42][cH:43]1)=[N:64][O:65][CH3:66])=[O:67]