HRID92736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

结构：CC(C)n1cc(C(=O)O)c2ccc(-c3ccc(CCN(CC(OC4CCCCO4)c4cccc(Cl)c4)C(=O)OC(C)(C)C)cc3)cc21

HCID69351905

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc(C(=O)NS(C)(=O)=O)c2ccc(-c3ccc(CCN(CC(OC4CCCCO4)c4cccc(Cl)c4)C(=O)OC(C)(C)C)cc3)cc21

HCID178456305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8887da0b22834bd79e971908c7e4721d
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

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