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Hexafluorophosphate → 2-(t-Butoxycarbonylamino)-2-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]-propanamide

HRID 116393
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HRID 116393 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH3:10])([C:11](=[O:12])[OH:13])[CH3:14].[NH2:15][CH:16]1[C:17](=[O:27])[NH:18][c:19]2[c:20]([cH:23][cH:24][cH:25][cH:26]2)[CH2:21][CH2:22]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH3:10])([C:11](=[O:13])[NH:15][CH:16]1[C:17](=[O:27])[NH:18][c:19]2[c:20]([cH:23][cH:24][cH:25][cH:26]2)[CH2:21][CH2:22]1)[CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 2733845N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanineHCID 44344333-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one

생성물 1

HCID 218366802-(t-Butoxycarbonylamino)-2-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]-propanamide

출처 및 근거

ORD 기록
ord-88795c56c5c64ac289132337572bbdb2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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