O-Xylene → HCID 54712699, 화합물

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

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 12557673HCID 12557673, 화합물

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

생성물 1

HCID 54712699HCID 54712699, 화합물

출처 및 근거

ORD 기록: ord-42fe7bba85574816a0e42ef1f6f3a087
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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