Potassium Cation → 3-[3'-Adamantan-1-yl-4'-(1,3-dioxo-1,3-dihydroisoindol-2-ylmethoxy)-biphenyl-4-yl]acrylic acid tert-butyl ester

HRID 153169

반응식

HRID 153169 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]=[CH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([C:22]34[CH2:23][CH:24]5[CH2:25][CH:26]([CH2:27][CH:28]([CH2:29]3)[CH2:30]5)[CH2:31]4)[c:18]([OH:21])[cH:19][cH:20]2)[cH:13][cH:14]1)=[O:32].[Cl:33][CH2:34][N:35]1[C:36](=[O:45])[c:37]2[c:38]([cH:41][cH:42][cH:43][cH:44]2)[C:39]1=[O:40].[I-:52].[K+:46].[K+:47].[Na+:53].[O-:48][C:49]([O-:50])=[O:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]=[CH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([C:22]34[CH2:23][CH:24]5[CH2:25][CH:26]([CH2:27][CH:28]([CH2:29]3)[CH2:30]5)[CH2:31]4)[c:18]([O:21][CH2:34][N:35]3[C:36](=[O:45])[c:37]4[c:38]([cH:41][cH:42][cH:43][cH:44]4)[C:39]3=[O:40])[cH:19][cH:20]2)[cH:13][cH:14]1)=[O:32]

참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 87154ChloromethylphthalimideHCID 91423868Tert-butyl 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoate

생성물 1

HCID 674428563-[3'-Adamantan-1-yl-4'-(1,3-dioxo-1,3-dihydroisoindol-2-ylmethoxy)-biphenyl-4-yl]acrylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8351da966f7649e09e7948bb4cb2bbc4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…