HRID204641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID11638019

未命名化合物

HCID17750174

2-Chloro-4-iodopyridine-3-carboxylic acid

C6H3ClINO2

PRODUCTS

生成物

结构：O=C(c1c(I)ccnc1Cl)N(CCCO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11786369

N-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-2-chloro-N-(3-hydroxypropyl)-4-iodo-3-pyridinecarboxamide

C18H14ClF6IN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bff8d4b101c4106ab9ce431f733f15b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:5][c:6]1[c:7]([C:8](=[O:9])[OH:10])[c:11]([I:15])[cH:12][cH:13][n:14]1.[F:21][C:22]([c:23]1[cH:24][c:25]([CH2:26][NH:27][CH2:28][CH2:29][CH2:30][OH:31])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:39])[F:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:46].[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:5][c:6]1[c:7]([C:8](=[O:10])[N:27]([CH2:26][c:25]2[cH:24][c:23]([C:22]([F:21])([F:39])[F:40])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]2)[CH2:28][CH2:29][CH2:30][OH:31])[c:11]([I:15])[cH:12][cH:13][n:14]1