HRID829379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O

HCID294904

2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C16H30N2O6

结构：CC(N)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCC3)c2C#N)cc1

HCID77568697

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCC3)c2C#N)cc1

HCID178465102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-deccd6f776eb44f3a324976ff10ded4d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:23])[OH:24].[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:25].[F:57][C:58]([F:59])([F:60])[C:61]([OH:62])=[O:63].[NH2:64][CH:65]([CH3:66])[C:67](=[O:68])[O:69][CH2:70][CH2:71][O:72][c:73]1[cH:74][cH:75][c:76](-[c:79]2[c:80]([C:105]#[N:106])[c:81]([N:101]3[CH2:102][CH2:103][CH2:104]3)[n:82][c:83]([S:87][CH2:88][c:89]3[n:90][c:91](-[c:94]4[cH:95][cH:96][c:97]([Cl:100])[cH:98][cH:99]4)[s:92][cH:93]3)[c:84]2[C:85]#[N:86])[cH:77][cH:78]1.[O:107]=[CH:108][N:109]([CH3:110])[CH3:111].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:24])[NH:64][CH:65]([CH3:66])[C:67](=[O:68])[O:69][CH2:70][CH2:71][O:72][c:73]1[cH:74][cH:75][c:76](-[c:79]2[c:80]([C:105]#[N:106])[c:81]([N:101]3[CH2:102][CH2:103][CH2:104]3)[n:82][c:83]([S:87][CH2:88][c:89]3[n:90][c:91](-[c:94]4[cH:95][cH:96][c:97]([Cl:100])[cH:98][cH:99]4)[s:92][cH:93]3)[c:84]2[C:85]#[N:86])[cH:77][cH:78]1