HRID1219539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID90448

1H-Indole-1-acetic acid

C10H9NO2

结构：COC(=O)C(CSCc1ccc(N)cc1)NC(=O)OC(C)(C)C

HCID77559103

未命名化合物

结构：COC(=O)C(CSCc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)NC(=O)OC(C)(C)C

HCID77559183

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CSCc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)C(=O)O

HCID77559252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd27316bf2cc45ecaec51b5e2a057299
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

[C:105]([O:106][CH2:107][CH3:108])(=[O:109])[CH3:110].[CH2:113]1[O:114][CH2:115][CH2:116][CH2:117]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:111][OH:112].[CH3:14][O:15][C:16](=[O:17])[CH:18]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][S:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][O:49][C:50]([CH:51]([CH2:52][S:53][CH2:54][c:55]1[cH:56][cH:57][c:58]([NH:61][C:62]([CH2:63][n:64]2[cH:65][cH:66][c:67]3[cH:68][cH:69][cH:70][cH:71][c:72]23)=[O:73])[cH:59][cH:60]1)[NH:74][C:75](=[O:76])[O:77][C:78]([CH3:79])([CH3:80])[CH3:81])=[O:82].[CH3:86][N:87]([c:88]1[cH:89][cH:90][n:91][cH:92][cH:93]1)[CH3:94].[CH3:98][CH2:99][CH2:100][CH2:101][CH2:102][CH2:103][CH3:104].[Cl:95][CH2:96][Cl:97].[ClH:85].[Na+:84].[OH-:83].[n:1]1([CH2:2][C:3]([OH:4])=[O:5])[c:6]2[c:7]([cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13]1>>[O:49]=[C:50]([CH:51]([CH2:52][S:53][CH2:54][c:55]1[cH:56][cH:57][c:58]([NH:61][C:62]([CH2:63][n:64]2[cH:65][cH:66][c:67]3[cH:68][cH:69][cH:70][cH:71][c:72]23)=[O:73])[cH:59][cH:60]1)[NH:74][C:75](=[O:76])[O:77][C:78]([CH3:79])([CH3:80])[CH3:81])[OH:82]