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

HRID 1562328Notes

Reaction equation

HRID 1562328 reaction equation
[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[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][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]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:38](=[S:37])[NH:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 2346Benzyl IsothiocyanateHCID 6228DimethylformamideHCID 8471TriethylamineHCID 865877695-[[4-[[6-(4-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Product 1

HCID 185376671-Benzyl-3-(4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)thiourea

Sources & evidence

ORD record
ord-6c3b1280c70d492bab0476bf616c893a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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