HRID1548459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7677

1-Piperazineethanol

C6H14N2O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

结构：Cn1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2ccc(C(=O)O)cc21

HCID68489371

未命名化合物

PRODUCTS

生成物

结构：Cn1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2ccc(C(=O)N3CCN(CCO)CC3)cc21

HCID68488738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14e45f578e454cd28e6331e5fe433fc8
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

[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:11]3[n:12]([CH3:23])[c:13]4[cH:14][c:15]([C:20](=[O:21])[OH:22])[cH:16][cH:17][c:18]4[cH:19]3)[cH:9][cH:10]1)[C:6](=[O:24])[NH:5][CH2:4]2.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45].[OH:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[c:3]2[c:7]([c:8](-[c:11]3[n:12]([CH3:23])[c:13]4[cH:14][c:15]([C:20](=[O:22])[N:42]5[CH2:41][CH2:40][N:39]([CH2:38][CH2:37][OH:36])[CH2:44][CH2:43]5)[cH:16][cH:17][c:18]4[cH:19]3)[cH:9][cH:10]1)[C:6](=[O:24])[NH:5][CH2:4]2