Toluene → HCID 178435680, compound

HRID 198889Notes

Reaction equation

HRID 198889 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:8]2[c:9]([cH:19]1)[C:10]([C:14]([F:15])([F:16])[F:17])([OH:18])[C:11](=[O:13])[O:12]2.[CH3:39][N:40]([CH3:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:24]1([CH:34]([CH3:35])[N:36]=[C:37]=[O:38])[cH:25][cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:8]([OH:12])[c:9]([C:10]2([C:14]([F:15])([F:16])[F:17])[C:11](=[O:13])[N:36]([CH:34]([c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[CH3:35])[C:37](=[O:38])[O:18]2)[cH:19]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 142844-(Dimethylamino)pyridineHCID 6027531-(1-Isocyanatoethyl)naphthaleneHCID 4332683(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one

Product 1

HCID 178435680HCID 178435680, compound

Sources & evidence

ORD record
ord-baf28114c4d64be5b106d3d4e9b04ae9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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