N'-benzyl-N,N-dimethylpropane-1,3-diamine → 1-Benzyl-1-[3-(dimethylamino)propyl]-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]urea

반응식

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

참가 물질

반응물 2

HCID 2110933N'-benzyl-N,N-dimethylpropane-1,3-diamine

HCID 58884939ethyl N-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate

생성물 1

HCID 211085241-Benzyl-1-[3-(dimethylamino)propyl]-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]urea

출처 및 근거

ORD 기록: ord-51dadfa36b6a412b9e6c24283a080ab9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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