HRID1541284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

HCID93481

Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester

C20H23N3O3

HCID23372093

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCON1C(C)(C)CC(NC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)CC1(C)C

HCID21645439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ed601e78eb1437d9c438b4799a07783
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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