HRID284295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID88318

2-Propanamine, N-ethyl-

C5H13N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID22346693

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1

HCID22347284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b566630fb513421c8dc6f16d195ce6ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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