HRID181581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

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

HCID178422594

未命名化合物

PRODUCTS

生成物

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

HCID178422593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816dd2e21d4e47f6a66768a439e563c2
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

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