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Methanol → (4-{[4-(3,4-Bis-octadec-9-enyloxy-benzylamino)-butyl]-tert-butoxycarbonyl-amino}-butyl)-carbamic acid tert-butyl ester

HRID 154167
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HRID 154167 반응식
[BH4-:72].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][CH2:23][NH2:24])=[O:25].[CH2:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH:34]=[CH:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[O:44][c:45]1[cH:46][c:47]([CH:48]=[O:49])[cH:50][cH:51][c:52]1[O:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH:62]=[CH:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71].[CH3:77][OH:78].[Cl:74][CH2:75][Cl:76].[Na+:73]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][CH2:23][NH:24][CH2:48][c:47]1[cH:46][c:45]([O:44][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH:34]=[CH:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[c:52]([O:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH:62]=[CH:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[cH:51][cH:50]1)=[O:25]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 923Sodium IonHCID 6344DichloromethaneHCID 28123BorohydrideHCID 862608213,4-Bis-octadec-9-enyloxy-benzaldehydeHCID 86761292(4-Amino-butyl)-(4-tert-butoxycarbonylamino-butyl)-carbamic acid tert-butyl ester

생성물 1

HCID 86761294
(4-{[4-(3,4-Bis-octadec-9-enyloxy-benzylamino)-butyl]-tert-butoxycarbonyl-amino}-butyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-1afa83bd14fe4dedbfcea384678e7768
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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