1,2-Dichloroethane → N-(3-Chloro-phenyl)-4-hydroxy-2-methyl-2H-naphtho[2,1-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

반응식

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

참가 물질

반응물 3

HCID 111,2-Dichloroethane

HCID 79323-Chloroaniline

HCID 681419124-hydroxy-2-methyl-2H-naphtho[2,1-e]-1,2-thiazine-3-carboxylic acid ethyl ester-1,1-dioxide

생성물 1

HCID 54695958N-(3-Chloro-phenyl)-4-hydroxy-2-methyl-2H-naphtho[2,1-e]-1,2-thiazine-3-carboxamide-1,1-dioxide

출처 및 근거

ORD 기록: ord-87d4be35d65f4a259593eb321dfec9ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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