HRID1569557

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

HCID826989

6-amino-1,3-benzoxazol-2(3H)-one

C7H6N2O2

结构：O=C(Cc1ccc(Cl)cc1F)Nc1nc2ccc(C(=O)O)cc2s1

HCID86661382

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(Cl)cc1F)Nc1nc2ccc(C(=O)Nc3ccc4[nH]c(=O)oc4c3)cc2s1

HCID46940548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e247872b2ab34db4b93dd5ba570665c3
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

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