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Hydrochloric Acid → Hydrochloric Acid

HRID 178087
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HRID 178087 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[ClH:39].[F:40][c:41]1[c:42]([O:43][CH2:44][CH2:45][N:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:52][cH:53][cH:54][cH:55]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:13][CH2:14][C:15](=[O:17])[N:49]2[CH2:48][CH2:47][N:46]([CH2:45][CH2:44][O:43][c:42]3[c:41]([F:40])[cH:55][cH:54][cH:53][cH:52]3)[CH2:51][CH2:50]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[ClH:39]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 648603,4,5-Trimethoxyhydrocinnamic acidHCID 757711-Hydroxybenzotriazole
HCID 762703
1-[2-(2-Fluorophenoxy)ethyl]piperazine

생성물 2

HCID 313Hydrochloric AcidHCID 247387301-[4-[2-(2-Fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

출처 및 근거

ORD 기록
ord-5b63cb3ae04c40bf97378075ce0d6017
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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