HRID1138844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：N#Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(I)cc3)c3c2CCNC3)CC1

HCID11342085

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1

HCID10121688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-513093513b4d460f8a21aae4cb658f17
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

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