2-Aminothiazole → 4-Hydroxy-N-(2-thiazolyl)-2H-naphtho-[2,1-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

반응식

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

참가 물질

반응물 3

HCID 21552-Aminothiazole

HCID 7237O-Xylene

HCID 547193904-hydroxy-2H-naphtho[2,1-e]-1,2thiazine-3-carboxylic acid methyl ester-1,1-dioxide

생성물 1

HCID 546959454-Hydroxy-N-(2-thiazolyl)-2H-naphtho-[2,1-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

출처 및 근거

ORD 기록: ord-fc9fbc2a64984452aff606888b2d7b6d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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