O-Xylene → HCID 70410313, 화합물

반응식

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

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 13371034HCID 13371034, 화합물

HCID 54676532methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

생성물 1

HCID 70410313HCID 70410313, 화합물

출처 및 근거

ORD 기록: ord-1600031dd12145908ea6991f0b5616d8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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