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Hydrochloric Acid → Ethyl 2-[4-[4-[[2-methoxy-4-[[4-[2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

HRID 675513
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HRID 675513 반응식
[C:58](=[O:59])([O-:60])[O-:61].[CH3:32][c:33]1[c:34]([CH:44]=[CH:45][c:46]2[c:47]([OH:57])[n:48][n:49](-[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[cH:50]2)[n:35][c:36]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[s:37]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1.[ClH:31].[K+:62].[K+:63].[OH2:69]>>[CH2:2]([c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1)[O:57][c:47]1[c:46]([CH:45]=[CH:44][c:34]2[c:33]([CH3:32])[s:37][c:36]([N:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[n:35]2)[cH:50][n:49](-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[n:48]1
참가 물질출처 및 근거반응 노트

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8

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 86605724Ethyl (4-{4-[(4-chloromethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)acetateHCID 178435092HCID 178435092, 화합물

생성물 1

HCID 91232500Ethyl 2-[4-[4-[[2-methoxy-4-[[4-[2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

출처 및 근거

ORD 기록
ord-fa4eaca85bbf40578f36c7dcf33ad135
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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