HRID144572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID5250894

未命名化合物

结构：Cc1c(I)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID58218046

未命名化合物

PRODUCTS

生成物

结构：Cc1c(I)cc(C(=O)NCCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID58218051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45ff919bb43a4ed288e623717aa870dc
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

[C:23]([c:24]1[nH:25][cH:26][cH:27][n:28]1)([c:29]1[nH:30][cH:31][cH:32][n:33]1)=[O:34].[CH3:35][N:36]([CH2:37][CH2:38][CH2:39][NH2:40])[CH3:41].[I:1][c:2]1[cH:3][c:4]([C:20](=[O:21])[OH:22])[c:5](=[O:19])[n:6](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[c:7]1[CH3:8].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[I:1][c:2]1[cH:3][c:4]([C:20](=[O:21])[NH:40][CH2:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:41])[c:5](=[O:19])[n:6](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[c:7]1[CH3:8]