Benzene → HCID 21455458, compound

HRID 2329023Notes

Reaction equation

HRID 2329023 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([N:10]2[C:11](=[O:18])[N:12]([CH3:17])[CH2:13][CH2:14][CH:15]2[OH:16])[s:9]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36]1)([F:37])[F:38].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([N:10]2[C:11](=[O:18])[N:12]([CH3:17])[CH2:13][CH2:14][CH:15]2[O:16][C:32]([c:31]2[cH:30][cH:29][c:28]([C:27]([F:26])([F:37])[F:38])[cH:36][cH:35]2)=[O:33])[s:9]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 676074-(Trifluoromethyl)benzoyl chlorideHCID 21400082tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinone

Product 1

HCID 21455458HCID 21455458, compound

Sources & evidence

ORD record
ord-7bdb60255bfa49498979d1c204109f49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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