HRID1224169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)O

HCID12967000

未命名化合物

HCID71060546

未命名化合物

PRODUCTS

生成物

结构：CN1CC(c2ccccc2)C2(CCCN(C(=O)C(COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC2)C1=O

HCID178480045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b0500f516254a8da33d17ee0da5df99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][CH2:28][CH:29]([C:30](=[O:31])[OH:32])[NH:33][C:34]([C:35]([CH3:36])([CH3:37])[NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46].[CH3:1][N:2]1[C:3](=[O:19])[C:4]2([CH:5]([c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)[CH2:6]1)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17][CH2:18]2.[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64]>>[CH3:1][N:2]1[C:3](=[O:19])[C:4]2([CH:5]([c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)[CH2:6]1)[CH2:13][CH2:14][N:15]([C:30]([CH:29]([CH2:28][O:27][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH:33][C:34]([C:35]([CH3:36])([CH3:37])[NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])=[O:31])[CH2:16][CH2:17][CH2:18]2