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Hydrochloric Acid → 2-benzoyl-4-bromo-N-(4-methanesulfonylbenzyl)-N-(2-oxohexyl)benzamide

HRID 1535997
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HRID 1535997 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:12])[N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[CH2:25][CH:26]([CH2:27][CH2:28][CH2:29][CH3:30])[OH:31])[cH:32][cH:33][c:34]([Br:36])[cH:35]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:55][S:56]([CH3:57])=[O:58].[ClH:54].[OH2:59].[S:44](=[O:45])(=[O:46])=[O:47].[n:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:12])[N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[CH2:25][C:26]([CH2:27][CH2:28][CH2:29][CH3:30])=[O:31])[cH:32][cH:33][c:34]([Br:36])[cH:35]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1049PyridineHCID 8471TriethylamineHCID 24682Sulfur trioxideHCID 230606192-benzoyl-4-bromo-N-(2-hydroxyhexyl)-N-(4-methanesulfonylbenzyl)benzamide

생성물 1

HCID 230606932-benzoyl-4-bromo-N-(4-methanesulfonylbenzyl)-N-(2-oxohexyl)benzamide

출처 및 근거

ORD 기록
ord-4d3be692cfa44bb0a9ba6cd6057877ea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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