HRID103825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID6212

Chloroform

CHCl3

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O

HCID294900

未命名化合物

HCID10290764

1-Methyl-1H-pyrazole-4,5-diamine

C4H8N4

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)c1N

HCID178481883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e8f28287c1d4d2bbc2d102dd360773b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:45][n:46]1[n:47][cH:48][c:49]([NH2:52])[c:50]1[NH2:51].[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:35][C:36]([O:37][CH3:38])=[O:39].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58].[S:40]([OH:41])([OH:42])(=[O:43])=[O:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:15])[NH:52][c:49]1[cH:48][n:47][n:46]([CH3:45])[c:50]1[NH2:51])[CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]