HRID1150095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12587

Pentanoic acid, 4-methyl-

C6H12O2

HCID15908

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

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(=O)NC(Cc1ccccc1)C(O)C1CNCCN1C(=O)OC(C)(C)C

HCID69015300

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(Cc1ccccc1)C(O)C1CN(C(=O)CCC(C)C)CCN1C(=O)OC(C)(C)C

HCID69019037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2051715b74e847ea87e0cc915ff671f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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