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Tetrahydrofuran → 6-{[1-(1H-imidazol-1-ylmethyl)pentyl]oxy}-5-[(phenylsulfonyl)methyl]-3,4-dihydro-1(2H)-naphthalenone

HRID 2134052
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반응식

HRID 2134052 반응식
[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[OH:13][c:14]1[c:15]([CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:16]2[c:21]([cH:22][cH:23]1)[C:20](=[O:24])[CH2:19][CH2:18][CH2:17]2.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[n:35]1([CH2:40][CH:41]([CH2:42][CH2:43][CH2:44][CH3:45])[OH:46])[cH:36][n:37][cH:38][cH:39]1>>[O:13]([c:14]1[c:15]([CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:16]2[c:21]([cH:22][cH:23]1)[C:20](=[O:24])[CH2:19][CH2:18][CH2:17]2)[CH:41]([CH2:40][n:35]1[cH:36][n:37][cH:38][cH:39]1)[CH2:42][CH2:43][CH2:44][CH3:45]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 205730271-(1H-imidazol-1-yl)-2-hexanolHCID 223247586-hydroxy-5-[(phenylsulfonyl)methyl]-3,4-dihydro-1(2H)-naphthalenone

생성물 1

HCID 22324823
6-{[1-(1H-imidazol-1-ylmethyl)pentyl]oxy}-5-[(phenylsulfonyl)methyl]-3,4-dihydro-1(2H)-naphthalenone

출처 및 근거

ORD 기록
ord-0297465b3bb4456d8ecd59b437bf6ca0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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