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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one

HRID 180125
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반응식

HRID 180125 반응식
[CH3:35][CH:36]([NH:37][CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:42][OH:43].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:17])[n:6][c:7]2[n:8]([c:9]1=[O:10])[CH2:11][CH:12]([O:15][CH3:16])[CH2:13][CH2:14]2.[ClH:18].[F:19][c:20]1[cH:21][c:22]2[c:23]([c:24]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][o:26]2)[cH:33][cH:34]1>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:17])[n:6][c:7]2[n:8]([c:9]1=[O:10])[CH2:11][CH:12]([O:15][CH3:16])[CH2:13][CH2:14]2)[N:30]1[CH2:29][CH2:28][CH:27]([c:24]2[c:23]3[c:22]([cH:21][c:20]([F:19])[cH:34][cH:33]3)[o:26][n:25]2)[CH2:32][CH2:31]1
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참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 7912DiisopropylamineHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 183536393-(2-Chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

생성물 1

HCID 18353640
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one

출처 및 근거

ORD 기록
ord-09ee081fd89440d282262ed13b51564a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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