HRID98781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7504

Benzylamine

C7H9N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(-c2cc(-c3cccc(OCC(=O)O)c3)[nH]c(=O)n2)ccc1O

HCID178422597

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(-c3cccc(OCC(=O)NCc4ccccc4)c3)[nH]c(=O)n2)ccc1O

HCID178422595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6dcce0b2e043c487287f499dbc5ed2
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

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