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

HRID 1148667Notes

Reaction equation

HRID 1148667 reaction equation
[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:25].[ClH:26].[F:13][C:14]([c:15]1[cH:16][cH:17][c:18]([CH2:19][NH2:20])[cH:21][cH:22]1)([F:23])[F:24].[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[cH:33][cH:34][c:35]3[c:36]([n:37]([CH3:56])[c:38]([CH2:40][O:41][c:42]4[cH:43][cH:44][c:45]([CH2:46][CH:47]5[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]5)[cH:54][cH:55]4)[n:39]3)[cH:57]2)[cH:58][cH:59][cH:60]1>>[C:1](=[O:2])([NH:20][CH2:19][c:18]1[cH:17][cH:16][c:15]([C:14]([F:13])([F:23])[F:24])[cH:22][cH:21]1)[NH:27][c:28]1[cH:29][c:30]([O:31][c:32]2[cH:33][cH:34][c:35]3[c:36]([n:37]([CH3:56])[c:38]([CH2:40][O:41][c:42]4[cH:43][cH:44][c:45]([CH2:46][CH:47]5[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]5)[cH:54][cH:55]4)[n:39]3)[cH:57]2)[cH:58][cH:59][cH:60]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 682631,1'-CarbonyldiimidazoleHCID 768044-(Trifluoromethyl)benzylamineHCID 101519525-[[4-[[6-(3-Aminophenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Product 1

HCID 101226081-(3-[2-[4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl)-3-[4-(trifluoromethyl)benzyl]urea

Sources & evidence

ORD record
ord-fad00f567150496caa825bf1bab730bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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