p-Toluenesulfonic acid → HCID 54501125, 화합물

반응식

[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[n:7]1[c:8]([NH2:29])[n:9][c:10]2[c:11]1[cH:12][c:13]([C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([CH2:23][C:24](=[O:25])[O:26][CH3:27])[OH:28])[cH:14][cH:15]2.[CH:41]([Cl:42])([Cl:43])[Cl:44].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[n:7]1[c:8]([NH2:29])[n:9][c:10]2[c:11]1[cH:12][c:13]([C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[CH:23][C:24](=[O:25])[O:26][CH3:27])[cH:14][cH:15]2

참가 물질

반응물 3

HCID 6101p-Toluenesulfonic acid

HCID 6212Chloroform

HCID 132864971-Isopropylsulfonyl-2-amino-6-(alpha-hydroxy-alpha-methoxycarbonylmethylbenzyl)benzimidazole

생성물 1

HCID 54501125HCID 54501125, 화합물

출처 및 근거

ORD 기록: ord-8237e33165dc49fe800e4a38f4ca2f7c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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