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Dichloromethane → Toluene-4-sulfonic acid 2-{5-methyl-2-[4-(methyl-phenyl-amino)-phenyl]-oxazol-4-yl}-ethyl ester

HRID 109897
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반응식

HRID 109897 반응식
[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH3:1][c:2]1[c:3]([CH2:21][CH2:22][OH:23])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([N:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH3:20])[cH:11][cH:12]2)[o:6]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44].[c:24]1([CH3:34])[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:28][cH:29]1>>[CH3:1][c:2]1[c:3]([CH2:21][CH2:22][O:23][S:30]([c:27]2[cH:26][cH:25][c:24]([CH3:34])[cH:29][cH:28]2)(=[O:31])=[O:32])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([N:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH3:20])[cH:11][cH:12]2)[o:6]1
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반응물 5

HCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 179843392-{5-Methyl-2-[4-(methyl-phenyl-amino)-phenyl]-oxazol-4-yl}-ethanol

생성물 1

HCID 58978958Toluene-4-sulfonic acid 2-{5-methyl-2-[4-(methyl-phenyl-amino)-phenyl]-oxazol-4-yl}-ethyl ester

출처 및 근거

ORD 기록
ord-2efaed45c4f74883831786ee3510b96d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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