HRID284128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID10422

Azetidine

C3H7N

HCID81531

Diisopropylethylamine

C8H19N

HCID11286531

未命名化合物

HCID21083717

未命名化合物

PRODUCTS

生成物

结构：CCNC1(C(N)=O)CN(c2ccnc3c(I)c(-c4ccccc4Cl)nn23)C1

HCID58801316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e0086553e6b4be7b8e69a30383261dc
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

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