Ammonia → (4-{-3-[4-(2-Amino-ethoxy)-3-ethyl-5-methyl-phenyl]-[1,2,4]oxadiazol-5-yl}-6-methyl-pyrimidin-2-yl)-diethyl-amine

반응식

[CH2:1]([CH3:2])[N:3]([c:4]1[n:5][c:6]([CH3:32])[cH:7][c:8](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([CH2:30][CH3:31])[c:18]([O:19][CH2:20][CH2:21][O:22][S:23]([CH3:24])(=[O:25])=[O:26])[c:27]([CH3:29])[cH:28]3)[n:13][o:14]2)[n:9]1)[CH2:33][CH3:34].[CH3:36][OH:37].[NH3:35]>>[CH2:1]([CH3:2])[N:3]([c:4]1[n:5][c:6]([CH3:32])[cH:7][c:8](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([CH2:30][CH3:31])[c:18]([O:19][CH2:20][CH2:21][NH2:35])[c:27]([CH3:29])[cH:28]3)[n:13][o:14]2)[n:9]1)[CH2:33][CH3:34]

참가 물질

반응물 3

HCID 222Ammonia

HCID 887Methanol

HCID 86645310Methanesulfonic acid 2-{4-[5-(2-diethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy}-ethyl ester

생성물 1

HCID 68506263(4-{-3-[4-(2-Amino-ethoxy)-3-ethyl-5-methyl-phenyl]-[1,2,4]oxadiazol-5-yl}-6-methyl-pyrimidin-2-yl)-diethyl-amine

출처 및 근거

ORD 기록: ord-861907d0a20f46cd856e409b233a8e46
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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