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Acetic Acid → [4-(4-tert-Butyl-phenylcarbamoyl)-1-(toluene-4-sulfonyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

HRID 951824
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HRID 951824 반응식
[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][cH:51][c:52]([NH2:53])[cH:54][cH:55]1.[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:9][CH2:10]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:56][OH:57].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][C:68](=[O:69])[OH:70].[OH2:71]>>[C:3](=[O:4])([C:5]1([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:9][CH2:10]1)[NH:53][c:52]1[cH:51][cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:55][cH:54]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 698614-Tert-Butylaniline
HCID 58129388
4-tert-Butoxycarbonylamino-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid methyl ester

생성물 1

HCID 66921139[4-(4-tert-Butyl-phenylcarbamoyl)-1-(toluene-4-sulfonyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-5dedc1cbf4db41afbe319005e9d84f0b
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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