Hydrochloric Acid → 1-(4-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-3-(naphthalen-1-yl)thiourea

HRID 107595

反応式

HRID 107595 の反応式
[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:1].[ClH:2].[NH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][cH:36]1.[S:37]=[C:38]=[N:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12>>[NH:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][cH:36]1)[C:38](=[S:37])[NH:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12

参加物

6

反応物 5

HCID 313Hydrochloric Acid2 回HCID 6228DimethylformamideHCID 8471TriethylamineHCID 110801-Naphthyl IsothiocyanateHCID 865877695-[[4-[[6-(4-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

生成物 1

HCID 185375951-(4-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-3-(naphthalen-1-yl)thiourea

出典と根拠

ORDレコード
ord-2f7a5a2f6f4f49118f79f18ecfde2842
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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