Methanol → Tbpb

반응식

[CH3:17][c:18]1[c:19]([CH2:20][N:21]2[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]2)[cH:28][cH:29][cH:30][cH:31]1.[CH3:32][OH:33].[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]1)[cH:13][cH:14][cH:15][cH:16]2>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH:24]3[CH2:23][CH2:22][N:21]([CH2:20][c:19]4[c:18]([CH3:17])[cH:31][cH:30][cH:29][cH:28]4)[CH2:26][CH2:25]3)[CH2:11][CH2:12]1)[cH:13][cH:14][cH:15][cH:16]2

참가 물질

반응물 3

HCID 887Methanol

HCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one

HCID 11959536N-(2-methylbenzyl)4-piperidone

생성물 1

HCID 10092649Tbpb

출처 및 근거

ORD 기록: ord-5ee47ad0fc4841e6bb3124fde9c15120
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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