HRID186263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75655

4-(4-Morpholino)aniline

C10H14N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCOC(=O)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1

HCID53227884

6-Chloro-4'-(ethoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid

C16H13ClO4

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1

HCID59822360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afa0b94ddfa6419482aedc6cb8e7f831
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][c:14]([C:19](=[O:20])[OH:21])[cH:15][cH:16][c:17]2[Cl:18])[cH:10][cH:11]1.[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:56][N:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[NH2:22][c:23]1[cH:24][cH:25][c:26]([N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:27][cH:28]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][c:14]([C:19](=[O:21])[NH:22][c:23]3[cH:24][cH:25][c:26]([N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:27][cH:28]3)[cH:15][cH:16][c:17]2[Cl:18])[cH:10][cH:11]1