HRID142309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102945

未命名化合物

HCID122205

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OC

HCID5077891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3c8c60df53a4978a6417ee4338b9658
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH2:15][CH3:16])[C:17](=[O:18])[OH:19].[CH3:21][O:22][C:23]([CH:24]([NH2:25])[CH2:26][c:27]1[cH:28][nH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]12)=[O:36].[CH3:62][OH:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[ClH:20].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH2:15][CH3:16])[C:17](=[O:19])[NH:25][CH:24]([C:23]([O:22][CH3:21])=[O:36])[CH2:26][c:27]1[cH:28][nH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]12