HRID955182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13222

2-Phenylisobutyric acid

C10H12O2

HCID15908

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

C8H17N3

HCID181649

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

C5H4N4O

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN)C(C)C)ccc1OC

HCID178495379

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CNC(=O)C(C)(C)c2ccccc2)C(C)C)ccc1OC

HCID69504316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd014e111ffa46cfbcd52084f4c2426a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation 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])[N:8]1[CH2:9][CH:10]([CH2:34][NH2:35])[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1.[CH3:36][C:37]([C:38](=[O:39])[OH:40])([CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:65][N:66]([CH3:67])[CH2:68][CH2:69][CH2:70][N:71]=[C:72]=[N:73][CH2:74][CH3:75].[Cl:77][CH2:78][Cl:79].[ClH:76].[OH:55][n:56]1[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:34][NH:35][C:38]([C:37]([CH3:36])([CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:39])[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1