HRID123732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID76406

N-Acetyl-beta-alanine

C5H9NO3

结构：CC(Cc1ccc(O)cc1)N(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c(N)c1

HCID53901474

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCC(=O)Nc1cc(C(O)CN(Cc2ccccc2)C(C)Cc2ccc(O)cc2)ccc1OCc1ccccc1

HCID54050786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22647d1173eb4f52badbac700b17bbef
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:38]([CH3:39])(=[O:40])[NH:41][CH2:42][CH2:43][C:44](=[O:45])[OH:46].[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:1].[NH2:2][c:3]1[cH:4][c:5]([CH:6]([CH2:7][N:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH3:18])[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[OH:26])[cH:27][cH:28][c:29]1[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[NH:2]([c:3]1[cH:4][c:5]([CH:6]([CH2:7][N:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[CH3:18])[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[OH:26])[cH:27][cH:28][c:29]1[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[C:44]([CH2:43][CH2:42][NH:41][C:38]([CH3:39])=[O:40])=[O:45]