HRID944590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75737

(+/-)-Phenylalanine methyl ester

C10H13NO2

HCID18183696

3-Hydroxypyrrolidine-2,5-dione

C4H5NO3

HCID19351554

未命名化合物

PRODUCTS

生成物

结构：CCCSc1ncc(CC(=O)NC(Cc2ccccc2)C(=O)OC)n1Cc1ccccc1Cl

HCID178460788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c86b6d17fbc4999835fe8f7817c6cb6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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