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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-[6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

HRID 810212
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HRID 810212 반응식
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:29][C:30](=[O:31])[O:32][c:33]1[cH:34][cH:35][c:36]([N+:37]([O-:38])=[O:39])[cH:40][cH:41]1.[Cl:65][CH2:66][Cl:67].[ClH:42].[ClH:43].[NH2:8][CH:9]1[C:10](=[O:28])[N:11]([CH2:24][CH2:25][S:26][CH3:27])[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1.[O:44]=[c:45]1[n:46]([CH:54]2[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[c:47]2[c:48]([n:49][cH:50][cH:51][cH:52]2)[nH:53]1.[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[NH:8]([CH:9]1[C:10](=[O:28])[N:11]([CH2:24][CH2:25][S:26][CH3:27])[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1)[C:30](=[O:31])[N:57]1[CH2:56][CH2:55][CH:54]([n:46]2[c:45](=[O:44])[nH:53][c:48]3[c:47]2[cH:52][cH:51][cH:50][n:49]3)[CH2:59][CH2:58]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 821294-Nitrophenyl chloroformateHCID 22293182Bms-973013HCID 222931853-Amino-6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)azepan-2-one

생성물 1

HCID 11261479N-[6-(2,3-difluorophenyl)-1-(2-methylsulfanylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

출처 및 근거

ORD 기록
ord-5b1129c7e89148189104de543dbc5edc
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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