HRID960517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2773320

4-Sulfamoylbutyric acid

C4H9NO4S

结构：CNCCN(C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC)cc3n2C1

HCID178484271

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N(C)CCN(C)C(=O)CCCS(N)(=O)=O)COc1ccccc1-3

HCID178497223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-271a50d0ad2b4db3a29e8548d3b5863d
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

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