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Sodium Ion → 1-{[4-(Difluoromethoxy)phenyl]ethynyl}-3-propylbenzene

HRID 694203
노트
인쇄 미리보기

반응식

HRID 694203 반응식
[CH2:32]([CH3:33])[B:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:10]#[C:11][c:12]2[cH:13][c:14]([CH:18]=[N:19][NH:20][S:21]([c:22]3[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]3)(=[O:29])=[O:30])[cH:15][cH:16][cH:17]2)[cH:8][cH:9]1)[F:31].[Na+:40].[OH-:39].[OH2:41]>>[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:10]#[C:11][c:12]2[cH:13][c:14]([CH2:18][CH2:32][CH3:33])[cH:15][cH:16][cH:17]2)[cH:8][cH:9]1)[F:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 7357TriethylboraneHCID 8028TetrahydrofuranHCID 68649512N-[[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]methylideneamino]-4-methylbenzenesulfonamide

생성물 1

HCID 574358561-{[4-(Difluoromethoxy)phenyl]ethynyl}-3-propylbenzene

출처 및 근거

ORD 기록
ord-f6fc1e68f65b49abab47922dcbf99254
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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