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Ammonium → ethyl 1-[(2-bromo-5-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxylate

HRID 101355
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HRID 101355 반응식
[Br:1][c:2]1[s:3][c:4]([CH3:9])[c:5]([CH2:7][OH:8])[n:6]1.[Cl-:53].[NH4+:54].[O:39]=[C:40]([O:41][CH:42]([CH3:43])[CH3:44])[N:45]=[N:46][C:47]([O:48][CH:49]([CH3:50])[CH3:51])=[O:52].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[nH:29]1[n:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:33]1>>[Br:1][c:2]1[s:3][c:4]([CH3:9])[c:5]([CH2:7][n:29]2[n:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:33]2)[n:6]1
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반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 58127549(2-Bromo-5-methylthiazol-4-yl)methanol

생성물 1

HCID 58127672ethyl 1-[(2-bromo-5-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxylate

출처 및 근거

ORD 기록
ord-23d980e0e0a945aeb160524c6cdec3cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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