HRID1219462

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11369231

未命名化合物

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(CN4CCN(S(C)(=O)=O)CC4)cc3)ccc2Cl)cc1

HCID67372382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0bf8e94a95141a9bd5d69df91600b7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[CH3:22][S:23](=[O:24])(=[O:25])[N:26]1[CH2:27][CH2:28][N:29]([CH2:32][c:33]2[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]2)[CH2:30][CH2:31]1.[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:51][n:52]1[c:53]2[c:54]([cH:55][cH:56][cH:57][cH:58]2)[n:59][n:60]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:39][c:36]3[cH:35][cH:34][c:33]([CH2:32][N:29]4[CH2:28][CH2:27][N:26]([S:23]([CH3:22])(=[O:24])=[O:25])[CH2:31][CH2:30]4)[cH:38][cH:37]3)[cH:15][cH:16][c:17]2[Cl:18])[cH:10][cH:11]1