2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(1-propylindol-3-yl)propanoic acid → tert-butyl N-[1-oxo-1-[[2-oxo-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-3-yl]amino]-3-(1-propylindol-3-yl)propan-2-yl]carbamate

HRID 172205

반응식

HRID 172205 반응식
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH:33]([C:34](=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][n:40]([CH2:47][CH2:48][CH3:49])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12.[NH2:1][CH:2]1[C:3](=[O:24])[N:4]([CH2:18][c:19]2[cH:20][s:21][cH:22][cH:23]2)[c:5]2[c:6]([N:12]3[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]2[CH2:11]1>>[NH:1]([CH:2]1[C:3](=[O:24])[N:4]([CH2:18][c:19]2[cH:20][s:21][cH:22][cH:23]2)[c:5]2[c:6]([N:12]3[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]2[CH2:11]1)[C:34]([CH:33]([NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][c:38]1[cH:39][n:40]([CH2:47][CH2:48][CH3:49])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12)=[O:35]

참가 물질

3

반응물 2

HCID 231482712-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(1-propylindol-3-yl)propanoic acidHCID 596203303-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2(1H)-one

생성물 1

HCID 178456248tert-butyl N-[1-oxo-1-[[2-oxo-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-3-yl]amino]-3-(1-propylindol-3-yl)propan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-c20e2bc06d7a42f29545869129cdb602
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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