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Potassium Cation → Tert-butyl 2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

HRID 1153379
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HRID 1153379 반응식
[Br:1][c:2]1[cH:3][n:4][c:5]([Cl:8])[n:6][cH:7]1.[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([CH2:22][NH2:23])[CH:18]2[CH2:19][CH:20]2[CH2:21]1.[CH3:39][c:40]1[c:41]([CH3:42])[cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[OH2:53]>>[Br:1][c:2]1[cH:3][n:4][c:5]([NH:23][CH2:22][CH:17]2[N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH:20]3[CH:18]2[CH2:19]3)[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation2회HCID 962WaterHCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 6066655-Bromo-2-chloropyrimidine
HCID 57437194
Tert-butyl 2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

생성물 1

HCID 68445839Tert-butyl 2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

출처 및 근거

ORD 기록
ord-8efce1d6d2584ab49160adbb31c5b4e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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