Hydrochloric Acid → N-[4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclohexanecarboxamide

HRID 202807

反応式

HRID 202807 の反応式
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[ClH:23].[ClH:24].[NH2:25][c:26]1[cH:27][cH:28][c:29]([O:30][c:31]2[cH:32][cH:33][c:34]3[c:35]([n:36]([CH3:55])[c:37]([CH2:39][O:40][c:41]4[cH:42][cH:43][c:44]([CH2:45][CH:46]5[C:47](=[O:52])[NH:48][C:49](=[O:51])[S:50]5)[cH:53][cH:54]4)[n:38]3)[cH:56]2)[cH:57][cH:58]1.[OH:7][C:8](=[O:9])[CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1>>[C:8](=[O:9])([CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1)[NH:25][c:26]1[cH:27][cH:28][c:29]([O:30][c:31]2[cH:32][cH:33][c:34]3[c:35]([n:36]([CH3:55])[c:37]([CH2:39][O:40][c:41]4[cH:42][cH:43][c:44]([CH2:45][CH:46]5[C:47](=[O:52])[NH:48][C:49](=[O:51])[S:50]5)[cH:53][cH:54]4)[n:38]3)[cH:56]2)[cH:57][cH:58]1

参加物

7

反応物 6

HCID 313Hydrochloric Acid2 回HCID 6228DimethylformamideHCID 7413Cyclohexanecarboxylic acidHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 865877695-[[4-[[6-(4-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

生成物 1

HCID 18537678N-[4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclohexanecarboxamide

出典と根拠

ORDレコード
ord-800942fa0ced4cc7b8613bbdf3080eb7
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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