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Hydrochloric Acid → 1-[5-[[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

HRID 1149169
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반응식

HRID 1149169 반응식
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH3:39].[CH:2]12[N:3]([CH2:9][c:10]3[cH:11][cH:12][c:13]([O:14][c:15]4[s:16][c:17]5[c:18]([n:19]4)[cH:20][cH:21][cH:22][cH:23]5)[cH:24][cH:25]3)[CH2:4][CH:5]([NH:6][CH2:7]1)[CH2:8]2.[Cl:40][CH2:41][Cl:42].[ClH:1]>>[CH:2]12[N:3]([CH2:9][c:10]3[cH:11][cH:12][c:13]([O:14][c:15]4[s:16][c:17]5[c:18]([n:19]4)[cH:20][cH:21][cH:22][cH:23]5)[cH:24][cH:25]3)[CH2:4][CH:5]([N:6]([C:34]([CH3:33])=[O:35])[CH2:7]1)[CH2:8]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 672071422-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-ylmethyl)phenoxy]-1,3-benzothiazole

생성물 1

HCID 576706551-[5-[[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
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출처 및 근거

ORD 기록
ord-e39423e3fdc34481a921cb8d12b579b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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