HRID141527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID53395245

未命名化合物

结构：O=C1NC(=O)c2ccc(I)cc2C1=CNc1ccc(C2CCCN2)cc1

HCID178518339

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC=CC(=O)N1CCCC1c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc32)cc1

HCID178483474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d88e2c4413544d296470bf157b1814e
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

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