HRID159801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

HCID10943925

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

HCID21994167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fbb3e959ca7449deb277bb4cd836d21c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][CH:46]([CH2:49][NH2:50])[CH2:47][CH2:48]1.[C:51](=[O:52])([O-:53])[OH:54].[CH2:25]([N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[CH3:35].[CH3:56][C:57]#[N:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[ClH:24].[Na+:55].[OH:16][N:17]1[C:18](=[O:19])[CH2:20][CH2:21][C:22]1=[O:23].[n:1]1[cH:2][c:3]2[cH:4][c:5]([C:13](=[O:14])[OH:15])[s:6][c:7]3[cH:8][cH:9][cH:10][c:11]1[n:12]23>>[n:1]1[cH:2][c:3]2[cH:4][c:5]([C:13](=[O:15])[NH:50][CH2:49][CH:46]3[CH2:45][CH2:44][N:43]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH2:48][CH2:47]3)[s:6][c:7]3[cH:8][cH:9][cH:10][c:11]1[n:12]23