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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ammonium → N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(fluoromethyl)pyrazine-2-carboxamide

HRID 177227
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인쇄 미리보기

반응식

HRID 177227 반응식
[CH3:38][CH2:39][CH3:40].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[F:1][CH2:2][c:3]1[n:4][cH:5][c:6]([C:9](=[O:10])[OH:11])[n:7][cH:8]1.[NH2:12][c:13]1[cH:14][cH:15][c:16]([F:33])[c:17]([C:19]23[N:20]=[C:21]([NH2:32])[S:22][CH2:23][CH:24]2[CH:25]([C:28]([F:29])([F:30])[F:31])[O:26][CH2:27]3)[cH:18]1.[NH4+:41].[OH-:42].[OH2:49].[PH:34]([OH:35])([OH:36])=[O:37]>>[F:1][CH2:2][c:3]1[n:4][cH:5][c:6]([C:9](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([F:33])[c:17]([C:19]34[N:20]=[C:21]([NH2:32])[S:22][CH2:23][CH:24]3[CH:25]([C:28]([F:29])([F:30])[F:31])[O:26][CH2:27]4)[cH:18]2)[n:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 407Phosphonic acidHCID 961HydroxideHCID 962WaterHCID 6334PropaneHCID 8857Ethyl AcetateHCID 668695845-(Fluoromethyl)pyrazine-2-carboxylic acid
HCID 72671713
7a-(5-Amino-2-fluorophenyl)-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

생성물 1

HCID 77977324N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(fluoromethyl)pyrazine-2-carboxamide

출처 및 근거

ORD 기록
ord-f21caa71e81f48f7b47548cf77d722f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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