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

HRID 2345919Notes

Reaction equation

HRID 2345919 reaction equation
[CH2:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[N:43]=[C:44]=[O:45].[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][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[c:12]([n:13]([CH3:32])[c:14]([CH2:16][O:17][c:18]4[cH:19][cH:20][c:21]([CH2:22][CH:23]5[C:24](=[O:29])[NH:25][C:26](=[O:28])[S:27]5)[cH:30][cH:31]4)[n:15]3)[cH:33]2)[cH:34][cH:35][cH:36]1>>[NH:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[c:12]([n:13]([CH3:32])[c:14]([CH2:16][O:17][c:18]4[cH:19][cH:20][c:21]([CH2:22][CH:23]5[C:24](=[O:29])[NH:25][C:26](=[O:28])[S:27]5)[cH:30][cH:31]4)[n:15]3)[cH:33]2)[cH:34][cH:35][cH:36]1)[C:44]([NH:43][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])=[O:45]

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 75659Hexyl isocyanateHCID 101519525-[[4-[[6-(3-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Product 1

HCID 185375761-(3-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-3-n-hexylurea

Sources & evidence

ORD record
ord-01b922e2b88045929c5d8f9ba9bd56a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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