HRID1561907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

结构：O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1cc2cc(Cl)cnc2[nH]1

HCID67278905

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC(O)C1)c1cc2cc(Cl)cnc2[nH]1

HCID178523220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b79817b7bac34df2bb6e9d61ffaeb2dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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