HRID693121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8018

2-Methoxyethylamine

C3H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(C(=O)O)c3)ccc12

HCID68514822

未命名化合物

PRODUCTS

生成物

结构：COCCNC(=O)c1cccc(-c2ccc3c(C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

HCID59788916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc5fc59372ed4962bd1d5684f89462ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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