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Acetonitrile → 2-(1-Ethyl-6-isopropyl-8-styryl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-ethanol

HRID 681223
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반응식

HRID 681223 반응식
[Br:1][c:2]1[cH:3][c:4]([CH:20]([CH3:21])[CH3:22])[cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[C:11]([CH2:15][CH3:16])([CH2:17][CH2:18][OH:19])[O:12][CH2:13][CH2:14]3.[C:60](#[N:61])[CH3:62].[CH2:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51]>>[c:2]1([CH:52]=[CH:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:3][c:4]([CH:20]([CH3:21])[CH3:22])[cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[C:11]([CH2:15][CH3:16])([CH2:17][CH2:18][OH:19])[O:12][CH2:13][CH2:14]3
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 7501StyreneHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 691966962-(8-Bromo-1-ethyl-6-isopropyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-ethanol

생성물 1

HCID 691949842-(1-Ethyl-6-isopropyl-8-styryl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-ethanol

출처 및 근거

ORD 기록
ord-7a48b15042724d42b1a15880905be0a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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