Trifluoroacetic acid → (RS) 2-(4-chlorophenoxymethyl)-4-[(piperidin-3-yl)methoxy]-1-[3-[1-(t-butoxycarbonyl)piperidin-3-yl]propyl]-benzimidazole

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][c:8]2[n:9][c:10]3[c:11]([n:12]2[CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20][CH2:21]2)[cH:29][cH:30][cH:31][c:32]3[O:33][CH2:34][CH:35]2[CH2:36][N:37]([C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH2:38][CH2:39][CH2:40]2)[cH:48][cH:49]1.[OH:50][C:51]([C:52]([F:53])([F:54])[F:55])=[O:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][c:8]2[n:9][c:10]3[c:11]([n:12]2[CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20][CH2:21]2)[cH:29][cH:30][cH:31][c:32]3[O:33][CH2:34][CH:35]2[CH2:36][NH:37][CH2:38][CH2:39][CH2:40]2)[cH:48][cH:49]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 21188665(RS) 2-(4-chlorophenoxymethyl)-4-[[1-(t-butoxycarbonyl)piperidin-3-yl]methoxy]-1-[3-[1-(t-butoxycarbonyl)piperidin-3-yl]propyl]-benzimidazole

생성물 1

HCID 21188730(RS) 2-(4-chlorophenoxymethyl)-4-[(piperidin-3-yl)methoxy]-1-[3-[1-(t-butoxycarbonyl)piperidin-3-yl]propyl]-benzimidazole

출처 및 근거

ORD 기록: ord-089390005313421fa783e869cbff6919
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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