Phenyl isocyanate → 1-(4-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-1-n-hexyl-3-phenylurea

HRID 2141816Notes

Reaction equation

HRID 2141816 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[NH:7][c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]4[cH:24][cH:25][c:26]([CH2:27][CH:28]5[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]5)[cH:35][cH:36]4)[n:20]3)[cH:38]2)[cH:39][cH:40]1.[O:41]=[C:42]=[N:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([c:8]1[cH:9][cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]4[cH:24][cH:25][c:26]([CH2:27][CH:28]5[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]5)[cH:35][cH:36]4)[n:20]3)[cH:38]2)[cH:39][cH:40]1)[C:42](=[O:41])[NH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1

Participants

4

Reactant 3

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 865877705-[4-[6-(4-n-Hexylaminophenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl]thiazolidine-2,4dione

Product 1

HCID 865877711-(4-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-1-n-hexyl-3-phenylurea

Sources & evidence

ORD record
ord-dde3deb30e3a45e28ebef58decb41a11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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