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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 2-Chloro-5-[4-(3-ethoxyphenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]benzenesulfonamide

HRID 299618
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HRID 299618 반응식
[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:12]2([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[Cl:45][c:46]1[c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]1.[ClH:1].[ClH:2].[OH2:88].[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[n:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:12]2([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][N:15]([C:50]([c:49]3[cH:48][c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[c:46]([Cl:45])[cH:54][cH:53]3)=[O:51])[CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 145684-Chloro-3-sulfamoylbenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 686761661-[8-[2-[4-(3-Ethoxyphenyl)piperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzimidazole

생성물 1

HCID 545830572-Chloro-5-[4-(3-ethoxyphenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-733c0a4202d84ab5b1eb2bf6730d1b02
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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