HRID807699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID69975

Hydroxypyridinone

C5H5NO2

结构：O=C(O)C1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

HCID22671562

未命名化合物

HCID178510704

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nnn[nH]1)C1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

HCID178523105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-503ae34c776a47e9aca2527d077909a4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60].[Cl:68][CH2:69][Cl:70].[NH2:61][CH2:62][c:63]1[n:64][n:65][n:66][nH:67]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:42][n:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1=[O:49].[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]2[CH:15]([C:39](=[O:40])[OH:41])[CH2:16][CH:17]([S:19][C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[c:2]([S:11](=[O:12])(=[O:13])[N:14]2[CH:15]([C:39](=[O:40])[NH:61][CH2:62][c:63]3[nH:64][n:65][n:66][n:67]3)[CH2:16][CH:17]([S:19][C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12