HRID123727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID15908

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

C8H17N3

HCID181649

HOAt

C5H4N4O

HCID68471625

未命名化合物

HCID77242545

未命名化合物

PRODUCTS

产物

HCID74428805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f75bcb507024d729bcc1df9fe675e78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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