HRID938703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

结构：CN1CC(c2ccccc2)C2(CCCN(C(=O)C(N)CCOc3ccccc3)C2)C1=O

HCID178480049

未命名化合物

PRODUCTS

生成物

结构：CN1CC(c2ccccc2)C2(CCCN(C(=O)C(CCOc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1=O

HCID178480041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-630b661944354a5fb61cf28dfff3eae0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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