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Dimethylformamide → 1-(Isoquinolin-3-ylmethyl)-2-methyl-6-(1-pentane-sulfonylcarbamoyl)benzimidazole

HRID 123394
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HRID 123394 반응식
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9]([CH2:13][c:14]3[n:15][cH:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[cH:23]3)[c:10]([CH3:12])[n:11]2)[cH:24]1.[C:34]1([C:35]2=[CH:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]2)=[N:55][NH:54][CH2:53][CH2:52][CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46]1.[CH2:25]([CH2:26][CH2:27][CH2:28][CH3:29])[S:30](=[O:31])(=[O:32])[NH2:33].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60]>>[C:1](=[O:2])([c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9]([CH2:13][c:14]3[n:15][cH:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[cH:23]3)[c:10]([CH3:12])[n:11]2)[cH:24]1)[NH:33][S:30]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:31])=[O:32]
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반응물 4

HCID 6228DimethylformamideHCID 109206961-PentanesulfonamideHCID 120517556-Carboxy-1-(isoquinolin-3-ylmethyl)-2-methylbenzimidazoleHCID 536302743-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

생성물 1

HCID 98465941-(Isoquinolin-3-ylmethyl)-2-methyl-6-(1-pentane-sulfonylcarbamoyl)benzimidazole

출처 및 근거

ORD 기록
ord-0544d040e4ae4b02a2547fade163f9df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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