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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

HRID 1216484
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HRID 1216484 반응식
[CH3:27][N:28]1[CH2:29][c:30]2[c:31]([n:34][c:35]([C:37](=[O:38])[O-:39])[s:36]2)[CH2:32][CH2:33]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:2][c:3]1[cH:4][c:5]2[cH:6][c:7]([C:12](=[O:13])[NH:14][CH:15]3[CH:16]([NH2:26])[CH2:17][CH:18]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:19][CH2:20]3)[nH:8][c:9]2[cH:10][cH:11]1.[ClH:1].[ClH:52].[Li+:40].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:2][c:3]1[cH:4][c:5]2[cH:6][c:7]([C:12](=[O:13])[NH:14][CH:15]3[CH:16]([NH:26][C:37]([c:35]4[n:34][c:31]5[c:30]([s:36]4)[CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]5)=[O:38])[CH2:17][CH:18]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:19][CH2:20]3)[nH:8][c:9]2[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28486Lithium CationHCID 757711-HydroxybenzotriazoleHCID 392400045-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
HCID 68911201HCID 68911201, 화합물

생성물 1

HCID 68907769ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

출처 및 근거

ORD 기록
ord-9fb6a20ac7d64ca597c393197b7abdb1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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