HRID1559795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID51573101

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nccc4ccccc34)CN2C1=O

HCID72804543

未命名化合物

PRODUCTS

生成物

HCID72427494

[4-Cyclopropanesulfonylaminocarbonyl-18-(isoquinolin-1-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-14-yl]-carbamic acid tert-butyl ester

C35H47N5O8S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c166597bfc84e92af76d37579d4ba8f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH:16]2[CH2:17][C:18]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[CH:46]2[CH2:47][CH2:48]2)[NH:19][C:20](=[O:39])[CH:21]2[CH2:22][CH:23]([O:28][c:29]3[n:30][cH:31][cH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]34)[CH2:24][N:25]2[C:26]1=[O:27])=[O:49].[CH3:60][C:61](=[O:62])[OH:63].[CH3:64][OH:65].[K+:58].[K+:59].[N:50]([C:51]([O-:52])=[O:53])=[N:54][C:55]([O-:56])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17][C:18]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[CH:46]2[CH2:47][CH2:48]2)[NH:19][C:20](=[O:39])[CH:21]2[CH2:22][CH:23]([O:28][c:29]3[n:30][cH:31][cH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]34)[CH2:24][N:25]2[C:26]1=[O:27])=[O:49]