Hydrochloric Acid → N3-(4-Methoxybenzoyl)-N4-[1-(4-pyridyl)-piperidin-4-ylmethyl]-3,4-pyridinediamine

반응식

[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[Cl:30])[cH:31][cH:32]1.[ClH:33].[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([CH2:13][NH:14][c:15]3[c:16]([NH2:21])[cH:17][n:18][cH:19][cH:20]3)[CH2:11][CH2:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][CH:10]([CH2:13][NH:14][c:15]3[c:16]([NH:21][C:28]([c:27]4[cH:26][cH:25][c:24]([O:23][CH3:22])[cH:32][cH:31]4)=[O:29])[cH:17][n:18][cH:19][cH:20]3)[CH2:11][CH2:12]2)[cH:5][cH:6]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 7477p-Anisoyl chloride

HCID 70034615N4-[1-(4-pyridyl)piperidin-4-ylmethyl]-3,4-pyridinediamine

생성물 1

HCID 9955571N3-(4-Methoxybenzoyl)-N4-[1-(4-pyridyl)-piperidin-4-ylmethyl]-3,4-pyridinediamine

출처 및 근거

ORD 기록: ord-08a1b5fc35274ad18c16a33fca7a7dc5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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