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Hydrochloric Acid → N-(2-hydroxyethyl)-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazole-4-carboxamide

HRID 1136646
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HRID 1136646 반응식
[CH2:31]([N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40])[CH3:41].[CH3:2][CH:3]1[N:4]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[n:18]3[n:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]3)[cH:16][cH:17]2)[CH2:5][CH2:6][CH2:7]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[ClH:1].[ClH:30].[NH2:26][CH2:27][CH2:28][OH:29].[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:2][CH:3]1[N:4]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[n:18]3[n:19][cH:20][c:21]([C:23](=[O:24])[NH:26][CH2:27][CH2:28][OH:29])[cH:22]3)[cH:16][cH:17]2)[CH2:5][CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 700EthanolamineHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 595417351-[4-[3-(2-Methylpyrrolidin-1-yl)propoxy]phenyl]pyrazole-4-carboxylic acid

생성물 1

HCID 74820077N-(2-hydroxyethyl)-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazole-4-carboxamide

출처 및 근거

ORD 기록
ord-78348edfd7424aad8ae5130d78b61e2c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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