HRID798949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22271924

未命名化合物

HCID86585326

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)CCCCNC(=O)C(Cc1ccc(N)c(C(C)C)c1)NC(C)=O

HCID22271949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-934e35fd102f49edaeea65cfabfdae94
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])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][c:9]([CH:14]([CH3:15])[CH3:16])[c:10]([NH2:13])[cH:11][cH:12]1)[C:17]([O:19][CH3:18])=[O:20].[CH2:70]([N:71]([CH2:72][CH3:73])[CH2:74][CH3:75])[CH3:76].[CH3:21][O:22][C:23]([CH:24]([CH2:25][CH2:26][S:27][CH3:28])[NH:29][C:30]([CH2:31][CH2:32][CH2:33][CH2:34][NH2:35])=[O:36])=[O:37].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:62][OH:63].[ClH:38].[Na+:61].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH-:60].[OH2:69].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][c:9]([CH:14]([CH3:15])[CH3:16])[c:10]([NH2:13])[cH:11][cH:12]1)[C:17](=[O:19])[NH:35][CH2:34][CH2:33][CH2:32][CH2:31][C:30]([NH:29][CH:24]([C:23]([O:22][CH3:21])=[O:37])[CH2:25][CH2:26][S:27][CH3:28])=[O:36]