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

HRID 191514ノート

反応式

HRID 191514 の反応式
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[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.[c:37]1([N:43]=[C:44]=[S:45])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[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:44]([NH:43][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[S:45]

参加物

6

反応物 5

HCID 313Hydrochloric Acid2 回HCID 6228DimethylformamideHCID 7673Phenyl IsothiocyanateHCID 8471TriethylamineHCID 865877695-[[4-[[6-(4-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

生成物 1

HCID 185375911-(4-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-3-(phenyl)thiourea

出典と根拠

ORDレコード
ord-b36a8ba1c7a24c3cadd1b82d443555c8
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反応ノート

読み込み中…