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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → (7RS,9aSR)-7-(4-Fluorophenoxy)methyl-2-(2-cyano-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

HRID 934988
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HRID 934988 반응식
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[ClH:66].[F:41][c:42]1[cH:43][cH:44][c:45]([OH:48])[cH:46][cH:47]1.[O:49]=[C:50]([O:51][CH2:52][CH3:53])[N:54]=[N:55][C:56]([O:57][CH2:58][CH3:59])=[O:60].[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][N:10]([c:12]3[c:13]([C:19]#[N:20])[cH:14][c:15]([F:18])[cH:16][cH:17]3)[CH2:11]2)[CH2:21]1.[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[O:1]([CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][N:10]([c:12]3[c:13]([C:19]#[N:20])[cH:14][c:15]([F:18])[cH:16][cH:17]3)[CH2:11]2)[CH2:21]1)[c:45]1[cH:44][cH:43][c:42]([F:41])[cH:47][cH:46]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 97324-FluorophenolHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 69432665(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

생성물 1

HCID 20654284
(7RS,9aSR)-7-(4-Fluorophenoxy)methyl-2-(2-cyano-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

출처 및 근거

ORD 기록
ord-2808973359454d63a780d2ced47cdbef
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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