HRID2131067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID728521

2-(1H-pyrrol-1-yl)benzoic acid

C11H9NO2

结构：COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CN)C(=O)OC(C)(C)C)c(C)c1

HCID178491745

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CNC(=O)c2ccccc2-n2cccc2)C(=O)OC(C)(C)C)c(C)c1

HCID178491744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62e849814afd461ead8ddad88ce5c462
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][NH2:9])[N:10]([S:11](=[O:12])(=[O:13])[c:14]1[c:15]([CH3:23])[cH:16][c:17]([O:21][CH3:22])[cH:18][c:19]1[CH3:20])[CH2:24][c:25]1[cH:26][c:27]2[c:28]([cH:29][cH:30]1)[O:31][CH2:32][O:33]2)=[O:34].[C:35](=[O:36])([OH:37])[c:38]1[c:39](-[n:44]2[cH:45][cH:46][cH:47][cH:48]2)[cH:40][cH:41][cH:42][cH:43]1.[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[OH2:49].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][NH:9][C:35](=[O:36])[c:38]1[c:39](-[n:44]2[cH:45][cH:46][cH:47][cH:48]2)[cH:40][cH:41][cH:42][cH:43]1)[N:10]([S:11](=[O:12])(=[O:13])[c:14]1[c:15]([CH3:23])[cH:16][c:17]([O:21][CH3:22])[cH:18][c:19]1[CH3:20])[CH2:24][c:25]1[cH:26][c:27]2[c:28]([cH:29][cH:30]1)[O:31][CH2:32][O:33]2)=[O:34]