Toluene → Dimethyl-[1-(5-nitro-benzooxazol-2-yl)-pyrrolidin-3-yl]-amine

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 27585193-(Dimethylamino)pyrrolidine

HCID 152521182-(Methylthio)-5-nitrobenzo[d]oxazole

생성물 1

HCID 68773862Dimethyl-[1-(5-nitro-benzooxazol-2-yl)-pyrrolidin-3-yl]-amine

출처 및 근거

ORD 기록: ord-638d1927e27a4262a8f63ef3557546cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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