HRID209897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4453465

未命名化合物

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID19376827

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(C)C(=O)N1CC2C(C1)C(c1ccccc1)(c1ccccc1)CCC2(O)c1ccccc1OC

HCID21264541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c47dec2175144eef82f7cd77b7c9d128
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

[CH3:11][O:12][c:13]1[c:14]([CH:19]([C:20](=[O:21])[OH:22])[CH3:23])[cH:15][cH:16][cH:17][cH:18]1.[CH3:64][N:65]([CH3:66])[CH2:67][CH2:68][CH2:69][N:70]=[C:71]=[N:72][CH2:73][CH3:74].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:75][CH2:76][Cl:77].[ClH:33].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1.[c:34]1([C:40]2([c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[CH2:41][CH2:42][C:43]([OH:49])([c:50]3[c:51]([O:56][CH3:57])[cH:52][cH:53][cH:54][cH:55]3)[CH:44]3[CH2:45][NH:46][CH2:47][CH:48]23)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH3:11][O:12][c:13]1[c:14]([CH:19]([C:20](=[O:22])[N:46]2[CH2:45][CH:44]3[C:43]([OH:49])([c:50]4[c:51]([O:56][CH3:57])[cH:52][cH:53][cH:54][cH:55]4)[CH2:42][CH2:41][C:40]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)([c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[CH:48]3[CH2:47]2)[CH3:23])[cH:15][cH:16][cH:17][cH:18]1