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Dimethylformamide → tert-butyl N-[4-[3-[2-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoylamino]-6-methylphenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

HRID 669096
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인쇄 미리보기

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HRID 669096 반응식
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([NH:42][C:43](=[NH:44])[c:45]1[s:46][c:47]([S:67][CH3:68])[c:48]([S:50](=[O:51])(=[O:52])[c:53]2[cH:54][c:55](-[c:59]3[c:60]([NH2:66])[cH:61][cH:62][cH:63][c:64]3[CH3:65])[cH:56][cH:57][cH:58]2)[cH:49]1)=[O:69].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl:77][CH2:78][Cl:79].[Cl:85][CH2:86][Cl:87].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[S:1]([Cl:2])([Cl:3])=[O:4].[cH:5]1[cH:6][cH:7][cH:8][c:9]2[c:17]1[CH:16]([CH2:18][O:19][C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[c:15]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1>>[cH:5]1[cH:6][cH:7][cH:8][c:9]2[c:17]1[CH:16]([CH2:18][O:19][C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[NH:66][c:60]1[c:59](-[c:55]3[cH:54][c:53]([S:50]([c:48]4[c:47]([S:67][CH3:68])[s:46][c:45]([C:43]([NH:42][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:69])=[NH:44])[cH:49]4)(=[O:51])=[O:52])[cH:58][cH:57][cH:56]3)[c:64]([CH3:65])[cH:63][cH:62][cH:61]1)[c:15]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 6344Dichloromethane2회HCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 4393960Fmoc-11-Aun-OHHCID 145857623tert-butyl N-[4-[3-(2-amino-6-methylphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

생성물 1

HCID 145857666
tert-butyl N-[4-[3-[2-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoylamino]-6-methylphenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

출처 및 근거

ORD 기록
ord-050a8dd3f6144d4690685614a8828f36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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