HRID1116133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

结构：CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O

HCID4147680

Fmoc-N-Me-Aib-OH

C20H21NO4

HCID22346711

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)N1CCCC(n2nc(I)c3c(N)ncnc32)C1

HCID22347324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec6d8238f4174d2bb122200e8bb08ba1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:76][CH2:77][Cl:78].[ClH:1].[ClH:2].[ClH:45].[I:3][c:4]1[n:5][n:6]([CH:14]2[CH2:15][NH:16][CH2:17][CH2:18][CH2:19]2)[c:7]2[n:8][cH:9][n:10][c:11]([NH2:13])[c:12]12.[OH:66][n:67]1[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1.[cH:20]1[cH:21][cH:22][cH:23][c:24]2[c:32]1[CH:31]([CH2:33][O:34][C:35](=[O:36])[N:37]([C:38]([C:39](=[O:40])[OH:41])([CH3:42])[CH3:43])[CH3:44])[c:30]1[c:25]-2[cH:26][cH:27][cH:28][cH:29]1>>[I:3][c:4]1[n:5][n:6]([CH:14]2[CH2:15][N:16]([C:39]([C:38]([N:37]([C:35]([O:34][CH2:33][CH:31]3[c:30]4[c:25]([cH:26][cH:27][cH:28][cH:29]4)-[c:24]4[cH:23][cH:22][cH:21][cH:20][c:32]43)=[O:36])[CH3:44])([CH3:42])[CH3:43])=[O:40])[CH2:17][CH2:18][CH2:19]2)[c:7]2[n:8][cH:9][n:10][c:11]([NH2:13])[c:12]12