HRID207754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

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

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10607488

未命名化合物

结构：CC(C)COc1cc(-c2ccc(NCCN(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)ccc1C(=O)O

HCID178450064

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(NCCN(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1OCC(C)C

HCID178476331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f15f7b72ef904bd7ab13c1e0af74adfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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