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Toluene → 4-Dipropylsulfamoyl-N-(4-methoxy-7-phenyl-benzothiazol-2-yl)-benzamide

HRID 1143178
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HRID 1143178 반응식
[CH2:1]([CH2:2][CH3:3])[N:4]([S:5](=[O:6])(=[O:7])[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1)[CH2:17][CH2:18][CH3:19].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[NH2:24][c:25]1[s:26][c:27]2[c:28]([n:29]1)[c:30]([O:40][CH3:41])[cH:31][cH:32][c:33]2-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[S:20]([Cl:21])([Cl:22])=[O:23]>>[CH2:1]([CH2:2][CH3:3])[N:4]([S:5](=[O:6])(=[O:7])[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:24][c:25]2[s:26][c:27]3[c:28]([n:29]2)[c:30]([O:40][CH3:41])[cH:31][cH:32][c:33]3-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:15][cH:16]1)[CH2:17][CH2:18][CH3:19]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1140TolueneHCID 4911ProbenecidHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 24386Thionyl ChlorideHCID 222830262-Amino-4-methoxy-7-phenyl-benzothiazole

생성물 1

HCID 22283065
4-Dipropylsulfamoyl-N-(4-methoxy-7-phenyl-benzothiazol-2-yl)-benzamide

출처 및 근거

ORD 기록
ord-806005dba2c047258e049c5415478f39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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