p-Toluenesulfonate → 2-(5-acetyl-2-ethylaminophenylimino)-3-benzyl-5-[5-(2-methoxyethoxy)-3-methyl-3H-benzothiazol-2-ylidene]thiazolidin-4-one

반응식

[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N:32]1[CH2+:33]([S:53][CH3:54])[S:34][C:35](=[C:38]2[S:39][c:40]3[c:41]([cH:44][c:45]([O:48][CH2:49][CH2:50][O:51][CH3:52])[cH:46][cH:47]3)[N:42]2[CH3:43])[C:36]1=[O:37].[NH2:1][c:2]1[cH:3][c:4]([C:11]([CH3:12])=[O:13])[cH:5][cH:6][c:7]1[NH:8][CH2:9][CH3:10].[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([O-:20])(=[O:21])=[O:22])[cH:23][cH:24]1>>[N:1]([c:2]1[cH:3][c:4]([C:11]([CH3:12])=[O:13])[cH:5][cH:6][c:7]1[NH:8][CH2:9][CH3:10])=[C:33]1[N:32]([CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:36](=[O:37])[C:35](=[C:38]2[S:39][c:40]3[c:41]([cH:44][c:45]([O:48][CH2:49][CH2:50][O:51][CH3:52])[cH:46][cH:47]3)[N:42]2[CH3:43])[S:34]1

참가 물질

반응물 2

HCID 85570p-Toluenesulfonate

HCID 219373693'-Amino-4'-(ethylamino)acetophenone

생성물 1

HCID 738550532-(5-acetyl-2-ethylaminophenylimino)-3-benzyl-5-[5-(2-methoxyethoxy)-3-methyl-3H-benzothiazol-2-ylidene]thiazolidin-4-one

출처 및 근거

ORD 기록: ord-eee032b5809544998dc480ba797cad2d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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