Sodium ion → 6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid

HRID 1546748

반응식

HRID 1546748 반응식
[Cl:1][c:2]1[cH:3][c:4]([C:21]#[C:22][CH2:23][CH2:24][CH2:25][Cl:26])[c:5]2[c:6]([cH:20]1)[CH:7]=[C:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH:9]([C:11]([F:12])([F:13])[F:14])[O:10]2.[Na+:28].[OH-:27]>>[Cl:1][c:2]1[cH:3][c:4]([C:21]#[C:22][CH2:23][CH2:24][CH2:25][Cl:26])[c:5]2[c:6]([cH:20]1)[CH:7]=[C:8]([C:15](=[O:16])[OH:17])[CH:9]([C:11]([F:12])([F:13])[F:14])[O:10]2

참가 물질

4

반응물 3

HCID 923Sodium ionHCID 961HydroxideHCID 21883733ethyl 6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate

생성물 1

HCID 218836996-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid

출처 및 근거

ORD 기록
ord-50af5576aa744512bd961f6b03e5cf79
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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