HRID283982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102688

Phenylalanine ethyl ester

C11H15NO2

结构：CS(=O)(=O)Nc1cc(OCC(O)CN(Cc2ccccc2)C2CCC(c3ccc(C(=O)O)cc3)CC2)ccc1OCc1ccccc1

HCID178505070

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C2CCC(N(Cc3ccccc3)CC(O)COc3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)CC2)cc1

HCID178470882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1cebcbdc7764cc58c5958f8c8fc8ecf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:13][CH2:14]1)[CH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][c:30]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[c:31]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:32][cH:33]1)[OH:47].[CH2:59]([N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68])[CH3:69].[CH2:71]([CH3:72])[O:73][C:74]([CH:75]([NH2:76])[CH2:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)=[O:84].[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[Cl:85][CH2:86][Cl:87].[ClH:58].[ClH:70].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[NH:76][CH:75]([C:74]([O:73][CH2:71][CH3:72])=[O:84])[CH2:77][c:78]3[cH:79][cH:80][cH:81][cH:82][cH:83]3)[cH:22][cH:23]2)[CH2:13][CH2:14]1)[CH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][c:30]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[c:31]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:32][cH:33]1)[OH:47]