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Acetic Acid → 5-(2-(4-fluorophenyl)propyl)-2,3,4,5-tetrahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole

HRID 201341
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HRID 201341 반응식
[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:55][OH:56].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][n:10]2[c:11]3[c:12]([c:13]4[cH:14][c:15]([CH3:19])[cH:16][cH:17][c:18]24)[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH3:25])[cH:6][cH:7]1.[F:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[CH2:32])[CH2:33][n:34]2[c:35]3[cH:36][cH:37][c:38]([CH3:39])[cH:40][c:41]3[c:42]3[c:48]2[CH2:47][CH2:46][N:44]([CH3:45])[CH2:43]3)[cH:49][cH:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][n:10]2[c:11]3[c:12]([c:13]4[cH:14][c:15]([CH3:19])[cH:16][cH:17][c:18]24)[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH3:25])[cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 176Acetic AcidHCID 887MethanolHCID 594548975-(2-(4-fluorophenyl)allyl)-2,3,4,5-tetrahydro-2,8-dimethyl-1H-pyrido[4,3-b]indoleHCID 673098145-[2-(4-fluorophenyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

생성물 1

HCID 578759635-(2-(4-fluorophenyl)propyl)-2,3,4,5-tetrahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole

출처 및 근거

ORD 기록
ord-d94c0517b3ad4958b7340b85a841bc6b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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