Toluene → N-(4-fluorophenyl)-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

HRID 303416Notes

Reaction equation

HRID 303416 reaction equation
[CH2:11]1[N:12]([c:19]2[cH:20][cH:21][c:22]3[n:23]([n:24]2)[c:25]([C:28]([F:29])([F:30])[F:31])[n:26][n:27]3)[CH2:13][CH:14]2[CH:15]1[CH2:16][NH:17][CH2:18]2.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:17]2[CH2:16][CH:15]3[CH2:11][N:12]([c:19]4[cH:20][cH:21][c:22]5[n:23]([n:24]4)[c:25]([C:28]([F:29])([F:30])[F:31])[n:26][n:27]5)[CH2:13][CH:14]3[CH2:18]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 709554-Fluorophenyl isocyanateHCID 673403076-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 67341227N-(4-fluorophenyl)-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

Sources & evidence

ORD record
ord-9c38675aa46341629999c13ca01b5d67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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