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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-[2-(1,3-dioxolan-2-yl)-1-hydroxyethyl]azetidin-3-ol

HRID 187531
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HRID 187531 반응식
[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH3:32].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[ClH:21].[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:20])[cH:15][c:16]([I:19])[cH:17][cH:18]2)[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[O:33]1[CH:34]([CH2:38][CH:39]([OH:40])[C:41]2([OH:45])[CH2:42][NH:43][CH2:44]2)[O:35][CH2:36][CH2:37]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:20])[cH:15][c:16]([I:19])[cH:17][cH:18]2)[c:4]([C:5](=[O:7])[N:43]2[CH2:42][C:41]([CH:39]([CH2:38][CH:34]3[O:33][CH2:37][CH2:36][O:35]3)[OH:40])([OH:45])[CH2:44]2)[cH:8][cH:9][c:10]1[F:11]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 220256632-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acidHCID 67051780
3-[2-(1,3-Dioxolan-2-yl)-1-hydroxyethyl]azetidin-3-ol

생성물 1

HCID 670518421-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-[2-(1,3-dioxolan-2-yl)-1-hydroxyethyl]azetidin-3-ol

출처 및 근거

ORD 기록
ord-f9707d7ffa904fa288ee24653209bd6b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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