HRID190540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

2 次

HCID102827

BOC-DL-Methionine

C10H19NO4S

结构：COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(O)c2cc(Cl)ccc21

HCID18917417

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(OC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2cc(Cl)ccc21

HCID178493254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10fbf41def6e424f9e0be33f7a2b961f
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

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