1-((Pyrrolidine-1-carbonyl)methyl)piperazine → (4-{2-Oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-piperazin-1-yl]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester

HRID 212377

반응식

HRID 212377 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][cH:11][c:12]([CH2:14][C:15](=[O:16])[OH:17])[n:13]1.[N:18]1([C:23](=[O:24])[CH2:25][N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[CH2:19][CH2:20][CH2:21][CH2:22]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][cH:11][c:12]([CH2:14][C:15](=[O:17])[N:29]2[CH2:28][CH2:27][N:26]([CH2:25][C:23]([N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)=[O:24])[CH2:31][CH2:30]2)[n:13]1

참가 물질

3

반응물 2

HCID 1006141-((Pyrrolidine-1-carbonyl)methyl)piperazineHCID 154800062-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)acetic acid

생성물 1

HCID 59698829(4-{2-Oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-piperazin-1-yl]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-c3d21cf136a34e4c9caaa1deb8c7c665
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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