HRID819039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

结构：Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)sc2ncccc12

HCID86761831

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3ncccc3c2C)C2CCCCC2)cc1

HCID66777578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-600279dbf0ea43c1a87e0384f0ac9175
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

[CH2:29]([CH3:30])[O:31][C:32]([CH2:33][CH2:34][NH2:35])=[O:36].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[s:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:60].[ClH:28].[ClH:48].[NH4+:61].[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>>[CH:1]1([CH:7]([c:8]2[c:9]([CH3:17])[c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[s:16]2)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:35][CH2:34][CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:36])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1