3-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenylacetic acid → N-Trifluoroacetyl-4-(5-(3-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenylacetyl)amino-[1,3,4]thiadiazol-2-yl)-furazan-3-ylamine

반응식

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

참가 물질

반응물 2

HCID 210712953-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenylacetic acid

HCID 21071303N-(4-(5-amino-1,3,4-thiadiazol-2-yl)-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide

생성물 1

HCID 21071306N-Trifluoroacetyl-4-(5-(3-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenylacetyl)amino-[1,3,4]thiadiazol-2-yl)-furazan-3-ylamine

출처 및 근거

ORD 기록: ord-7077df3da16b40ff8e5f2aa2aac57a01
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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