Hydrochloric Acid → [1-(3,5-dichloro-benzyl)-1H-imidazol-2-ylmethyl]-(3-fluoro-benzyl)-(2-piperazin-1-yl-ethyl)-amine

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 57801494HCID 57801494, 화합물

생성물 1

HCID 11949835[1-(3,5-dichloro-benzyl)-1H-imidazol-2-ylmethyl]-(3-fluoro-benzyl)-(2-piperazin-1-yl-ethyl)-amine

출처 및 근거

ORD 기록: ord-007dc5dad77c4b53af68a125dae2fe8d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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