Toluene → HCID 67340839, compound

HRID 2159637Notes

Reaction equation

HRID 2159637 reaction equation
[CH2:19]1[N:20]([c:27]2[cH:28][cH:29][c:30]3[n:31]([n:32]2)[c:33]([C:36]([F:37])([F:38])[F:39])[n:34][n:35]3)[CH2:21][CH:22]2[CH:23]1[CH2:24][NH:25][CH2:26]2.[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[Cl:6].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[Cl:7][CH2:8][Cl:9]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:25]1[CH2:24][CH:23]2[CH2:19][N:20]([c:27]3[cH:28][cH:29][c:30]4[n:31]([n:32]3)[c:33]([C:36]([F:37])([F:38])[F:39])[n:34][n:35]4)[CH2:21][CH:22]2[CH2:26]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6344DichloromethaneHCID 11667Ethanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 673403076-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Product 1

HCID 67340839HCID 67340839, compound

Sources & evidence

ORD record
ord-6e313f528aef4f58b3227f3ed639d0d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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