p-Toluenesulfonate → 3-[3-benzyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-2-ylideneamino]-4-ethylaminobenzoic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][c:9]([N+:16]([O-:17])=[O:18])[c:10]([NH:13][CH2:14][CH3:15])[cH:11][cH:12]1)=[O:19].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]1[CH2+:39]([S:54][CH3:55])[S:40][C:41](=[C:44]2[S:45][c:46]3[c:47]([cH:50][cH:51][cH:52][cH:53]3)[N:48]2[CH3:49])[C:42]1=[O:43].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][c:9]([N:16]=[C:39]2[N:38]([CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[C:42](=[O:43])[C:41](=[C:44]3[S:45][c:46]4[c:47]([cH:50][cH:51][cH:52][cH:53]4)[N:48]3[CH3:49])[S:40]2)[c:10]([NH:13][CH2:14][CH3:15])[cH:11][cH:12]1)=[O:19]

참가 물질

반응물 2

HCID 85570p-Toluenesulfonate

HCID 20626666Tert-butyl 4-(ethylamino)-3-nitrobenzoate

생성물 1

HCID 738550843-[3-benzyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-2-ylideneamino]-4-ethylaminobenzoic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-c1252e6f303142f7848919c13d8a68a7
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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