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

HRID 136020
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HRID 136020 반응식
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:54](#[N:55])[CH2:56][CH3:57].[CH3:58][S:59]([CH3:60])=[O:61].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:36][c:37]1[cH:38][c:39]([C:40](=[O:41])[NH:42][CH2:43][CH3:44])[cH:45][cH:46][c:47]1[N:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[ClH:35].[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][CH2:15][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][CH2:15][CH2:14][CH2:13]1)[N:51]1[CH2:50][CH2:49][N:48]([c:47]2[c:37]([Cl:36])[cH:38][c:39]([C:40](=[O:41])[NH:42][CH2:43][CH3:44])[cH:45][cH:46]2)[CH2:53][CH2:52]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244573-Chloro-N-ethyl-4-(piperazin-1-yl)benzamide
HCID 58324475
3-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

생성물 1

HCID 767605173-chloro-N-ethyl-4-[4-[(9-oxo-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-4cfb238a0efe4f878c2936841febd40f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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