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Water → 2-Amino-5-nitro-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide

HRID 2331501
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HRID 2331501 반응식
[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Li:1].[NH2:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][n:11]1.[O:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][c:25]([CH2:27][NH2:28])[s:26]1.[OH2:67].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([P+:37]([N:38]([CH3:39])[CH3:40])([N:41]([CH3:42])[CH3:43])[N:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[NH2:2][c:3]1[c:4]([C:5](=[O:7])[NH:28][CH2:27][c:25]2[cH:24][cH:23][c:22]([O:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[s:26]2)[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][n:11]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 27344352-Amino-5-nitropyridine-3-carboxylic acidHCID 3028194LithiumHCID 10938827Benzotriazol-1-yl-tris(dimethylamino)phosphanium
HCID 23130515
C-(5-Phenoxy thiophen-2-yl)methylamine

생성물 1

HCID 231304292-Amino-5-nitro-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide

출처 및 근거

ORD 기록
ord-be5234f63bbc41538a9ce75e2d7c9b84
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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