HRID300026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID246565

Z-DL-asparagine

C12H14N2O5

HCID178450150

未命名化合物

PRODUCTS

产物

HCID178450147

benzyl N-[4-amino-1-[[4-[(1-tert-butylpyrrolidine-2-carbonyl)amino]-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

C35H51N5O7

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-708e7f83f21c4a7a86e29c337e6d34d8
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

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