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Hydrochloric Acid → (1,4-Diazabicyclo[3.2.2]non-4-yl)(pyridin-2-yl)methanone

HRID 136308
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HRID 136308 반응식
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[ClH:1].[ClH:2].[N:3]12[CH2:4][CH2:5][NH:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:30].[OH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][n:20]1.[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[N:3]12[CH2:4][CH2:5][N:6]([C:13](=[O:12])[c:15]3[cH:16][cH:17][cH:18][cH:19][n:20]3)[CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 1018Picolinic acidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 130500
O-benzotriazol-1-yl-tetramethyluronium
HCID 3984071,4-Diazabicyclo(3.2.2)nonane

생성물 1

HCID 68865039(1,4-Diazabicyclo[3.2.2]non-4-yl)(pyridin-2-yl)methanone

출처 및 근거

ORD 기록
ord-55270c9dbc9e44c8918203f9fe8712c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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