Acetonitrile → HCID 19970055, compound

HRID 2317707Notes

Reaction equation

HRID 2317707 reaction equation
[C:44](#[N:45])[CH3:46].[CH3:13][S:14]([O:15][CH2:18][CH2:19][C:20]1([c:36]2[cH:37][c:38]([Cl:43])[c:39]([Cl:42])[cH:40][cH:41]2)[CH2:21][N:22]([C:25]([CH2:26][c:27]2[c:28]([Cl:34])[cH:29][cH:30][cH:31][c:32]2[F:33])=[O:35])[CH2:23][CH2:24]1)(=[O:16])=[O:17].[CH:1]1([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([N:7]2[CH2:8][CH2:9][N:10]([CH2:18][CH2:19][C:20]3([c:36]4[cH:37][c:38]([Cl:43])[c:39]([Cl:42])[cH:40][cH:41]4)[CH2:21][N:22]([C:25]([CH2:26][c:27]4[c:28]([Cl:34])[cH:29][cH:30][cH:31][c:32]4[F:33])=[O:35])[CH2:23][CH2:24]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 872981-CyclohexylpiperazineHCID 19970050HCID 19970050, compound

Product 1

HCID 19970055HCID 19970055, compound

Sources & evidence

ORD record
ord-95774c3b71c547d1b09c6be2e86ecd96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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