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Hydrochloric Acid → HCID 22282735, 화합물

HRID 215412
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HRID 215412 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:14][cH:15]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:53][O:54][C:55]([CH:56]1[NH:57][CH2:58][CH:59]([N:61]=[N+:62]=[N-:63])[CH2:60]1)=[O:64].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[ClH:52].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:20])[N:57]2[CH:56]([C:55]([O:54][CH3:53])=[O:64])[CH2:60][CH:59]([N:61]=[N+:62]=[N-:63])[CH2:58]2)[cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 14036246
HCID 14036246, 화합물
HCID 222827343-(4-{[(tert-Butoxycarbonyl)amino]methyl}phenyl)propanoic acid

생성물 1

HCID 22282735HCID 22282735, 화합물

출처 및 근거

ORD 기록
ord-83e6fcf64d164bdd8476120af9deda46
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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