HRID1202901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

结构：COc1ccc(COc2cc(OCc3ccc(OC)cc3)c(C(C)C)cc2C(=O)O)cc1

HCID59588993

未命名化合物

HCID59589001

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2cc(OCc3ccc(OC)cc3)c(C(C)C)cc2C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(ccn3C)c2)cc1

HCID59589004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e803d47420e415e81a52ab4790072cf
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

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