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Water → HCID 178459848, 화합물

HRID 290176
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HRID 290176 반응식
[B-:51]([F:52])([F:53])([F:54])[F:55].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([N:16]([C:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[c:26]2[c:27]([C:32](=[O:33])[O:34][CH:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:28][cH:29][cH:30][cH:31]2)[cH:14][cH:15]1)[C:48](=[O:49])[OH:50].[CH3:100][CH2:101][N:102]([CH2:103][CH3:104])[CH2:105][CH3:106].[NH2:83][CH2:84][CH2:85][CH2:86][CH2:87][O:88][c:89]1[c:90]([C:91](=[O:92])[O:93][CH3:94])[c:95]([OH:99])[cH:96][cH:97][cH:98]1.[O:107]=[CH:108][N:109]([CH3:110])[CH3:111].[OH2:112].[OH:73][n:74]1[c:75]2[c:76]([cH:77][cH:78][cH:79][cH:80]2)[n:81][n:82]1.[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([N:16]([C:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[c:26]2[c:27]([C:32](=[O:33])[O:34][CH:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:28][cH:29][cH:30][cH:31]2)[cH:14][cH:15]1)[C:48](=[O:50])[NH:83][CH2:84][CH2:85][CH2:86][CH2:87][O:88][c:89]1[c:90]([C:91](=[O:92])[O:93][CH3:94])[c:95]([OH:99])[cH:96][cH:97][cH:98]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 11832643Methyl 2-(4-aminobutoxy)-6-hydroxybenzoate
HCID 178459849
HCID 178459849, 화합물

생성물 1

HCID 178459848HCID 178459848, 화합물

출처 및 근거

ORD 기록
ord-1797283d6eb24d1a8b83482ac16f2075
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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