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Oxalic Acid → HCID 24809858, 화합물

HRID 2139917
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HRID 2139917 반응식
[B-:19]([F:20])([F:21])([F:22])[F:23].[C:47]([OH:48])(=[O:49])[C:50]([OH:51])=[O:52].[CH3:65][C:66]#[N:67].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:14](=[O:15])[OH:16])[cH:11][n:12][o:13]2)[cH:7][cH:8]1)([F:17])[F:18].[F:53][c:54]1[cH:55][cH:56][c:57]([CH:60]2[CH2:61][NH:62][CH2:63][CH2:64]2)[cH:58][cH:59]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:14](=[O:16])[N:62]3[CH2:61][CH:60]([c:57]4[cH:56][cH:55][c:54]([F:53])[cH:59][cH:58]4)[CH2:64][CH2:63]3)[cH:11][n:12][o:13]2)[cH:7][cH:8]1)([F:17])[F:18]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 971Oxalic AcidHCID 1049PyridineHCID 6342AcetonitrileHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 31597293-(4-fluorophenyl)pyrrolidineHCID 686829214-Isoxazolecarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-

생성물 1

HCID 24809858HCID 24809858, 화합물

출처 및 근거

ORD 기록
ord-e87d2367ba2847e18ede8715c44d1b30
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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