HRID169520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID14876689

1-Methyl-2-oxopyrrolidine-3-carboxylic acid

C6H9NO3

结构：COc1ccc(Cn2nc(I)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID67221003

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(I)c3c(Oc4ccc(NC(=O)C5CCN(C)C5=O)cc4F)ccnc32)cc1

HCID68516437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e48476f11d714e65a951e0168ea58b0f
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

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