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Hydrochloric Acid → 2-[2,6-Dimethyl-4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1,3-benzoxazole-4-carboxylic acid

HRID 2339268
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반응식

HRID 2339268 반응식
[CH3:1][CH:2]1[N:3]([c:9]2[o:10][c:11]3[c:12]([n:13]2)[c:14]([C:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]3)[CH:4]([CH3:8])[CH2:5][NH:6][CH2:7]1.[CH:36]([Cl:37])([Cl:38])[Cl:39].[Cl:27][C:28](=[O:29])[O:30][CH2:31][CH:32]([CH3:33])[CH3:34].[ClH:35].[Li+:21].[Na+:26].[O-:22][C:23]([OH:24])=[O:25].[OH2:40]>>[CH3:1][CH:2]1[N:3]([c:9]2[o:10][c:11]3[c:12]([n:13]2)[c:14]([C:18](=[O:19])[OH:20])[cH:15][cH:16][cH:17]3)[CH:4]([CH3:8])[CH2:5][N:6]([C:28](=[O:29])[O:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6212ChloroformHCID 28486Lithium ionHCID 62365Isobutyl chloroformateHCID 178430508HCID 178430508, 화합물
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생성물 1

HCID 668744772-[2,6-Dimethyl-4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1,3-benzoxazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-4c1fe01416804382b4dc14f593948d22
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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