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Hydrochloric Acid → 3-[4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]prop-2-enoic acid

HRID 296814
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인쇄 미리보기

반응식

HRID 296814 반응식
[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:45][CH3:46])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32]([CH:36]=[CH:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[o:33][c:34]3[CH3:35])[cH:43][cH:44]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1.[CH3:56][CH2:57][OH:58].[ClH:54].[Na+:53].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:52].[OH2:55]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:45][CH3:46])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])[o:33][c:34]3[CH3:35])[cH:43][cH:44]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 91275348Ethyl 3-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]prop-2-enoate

생성물 1

HCID 915367943-[4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]prop-2-enoic acid

출처 및 근거

ORD 기록
ord-7871163b9c954eb1a572a525eca7bef7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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