Toluene → HCID 178488498, compound

HRID 138217Notes

Reaction equation

HRID 138217 reaction equation
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:21][O:22][c:23]1[c:24]([CH3:39])[c:25]([CH3:38])[c:26]([CH:29]2[CH2:30][CH2:31][CH:32]3[N:33]2[CH2:34][CH2:35][NH:36][CH2:37]3)[cH:27][cH:28]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:1][C:2]([c:3]1[n:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1)([F:12])[F:13]>>[F:1][C:2]([c:3]1[n:4][cH:5][c:6]([C:7](=[O:9])[N:36]2[CH2:35][CH2:34][N:33]3[CH:29]([c:26]4[c:25]([CH3:38])[c:24]([CH3:39])[c:23]([O:22][CH3:21])[cH:28][cH:27]4)[CH2:30][CH2:31][CH:32]3[CH2:37]2)[cH:10][cH:11]1)([F:12])[F:13]

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 27775516-(Trifluoromethyl)nicotinic acidHCID 693679866-(4-Methoxy-2,3-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

Product 1

HCID 178488498HCID 178488498, compound

Sources & evidence

ORD record
ord-0585cd4a7f4d4497a709addc72e4833d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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