HRID125829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(C)c1

HCID46870354

未命名化合物

HCID57948649

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3sc(CN4CCCCC4)cc3C2)c(C)c1

HCID44237423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ca690710f8c4a0cad6314a179ece6a5
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

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