HRID288787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID10776871

未命名化合物

结构：CNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NCCCOC(C)=O

HCID22326995

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCCNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)COCC(C)(C)NC(=O)OC(C)(C)C

HCID178476306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e19e4fed656d48dd8a93a8f0390b8e1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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