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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 3-chloro-N-methyl-4-[4-[(9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]benzamide

HRID 173104
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HRID 173104 반응식
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:53](#[N:54])[CH2:55][CH3:56].[CH3:57][S:58]([CH3:59])=[O:60].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][c:37]1[N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[ClH:26].[I-:18].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1)[N:41]1[CH2:40][CH2:39][N:38]([c:37]2[c:28]([Cl:27])[cH:29][c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36]2)[CH2:43][CH2:42]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244013-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one
HCID 583245123-chloro-N-methyl-4-(piperazin-1-yl)benzamide

생성물 1

HCID 767605213-chloro-N-methyl-4-[4-[(9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]benzamide

출처 및 근거

ORD 기록
ord-7c844de837c24e6f98a8ccec7e41511f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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