Toluene → 1-(4-(2-Fluorobenzyloxy)phenyl)-3-(5-tert-butylisoxazol-3-yl)urea

HRID 299797Notes

Reaction equation

HRID 299797 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][c:23]([N:26]=[C:27]=[O:28])[n:24][o:25]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[cH:13][cH:14][cH:15][cH:16]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([NH:12][C:27]([NH:26][c:23]3[cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[o:25][n:24]3)=[O:28])[cH:10][cH:11]2)[cH:13][cH:14][cH:15][cH:16]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 129188385-Tert-butyl-3-isocyanato-1,2-oxazoleHCID 176080564-(2-Fluoro-benzyloxy)-phenylamine

Product 1

HCID 114632231-(4-(2-Fluorobenzyloxy)phenyl)-3-(5-tert-butylisoxazol-3-yl)urea

Sources & evidence

ORD record
ord-328164f1146947f7ac865ec27a1da96f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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