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Hydrochloric Acid → HCID 178523552, 화합물

HRID 835019
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인쇄 미리보기

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HRID 835019 반응식
[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:20].[ClH:46].[NH2:47][CH2:48][C:49](=[O:50])[N:51]1[CH2:52][CH2:53][N:54]([C:57]([c:58]2[c:59]([C:65]([F:66])([F:67])[F:68])[cH:60][cH:61][c:62]([F:64])[cH:63]2)=[O:69])[CH2:55][CH2:56]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:21]1(-[c:27]2[cH:28][c:29]([C:32](=[O:33])[OH:34])[n:30][nH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:21]1(-[c:27]2[cH:28][c:29]([C:32](=[O:34])[NH:47][CH2:48][C:49](=[O:50])[N:51]3[CH2:52][CH2:53][N:54]([C:57]([c:58]4[c:59]([C:65]([F:66])([F:67])[F:68])[cH:60][cH:61][c:62]([F:64])[cH:63]4)=[O:69])[CH2:55][CH2:56]3)[n:30][nH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 595595982-Amino-1-[4-(2-trifluoromethyl-5-fluoro-benzoyl)-piperazin-1-yl]-ethanone
HCID 178524117HCID 178524117, 화합물

생성물 1

HCID 178523552HCID 178523552, 화합물

출처 및 근거

ORD 기록
ord-b2f6d90e6c6e402f8177221f62c45135
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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