Acetonitrile → HCID 11706422, compound

HRID 2126477Notes

Reaction equation

HRID 2126477 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[CH2:28][CH2:29][N:30]([c:33]2[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]2)[CH2:31][CH2:32]1.[CH3:40][C:41]#[N:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:39][c:36]2[cH:35][cH:34][c:33]([N:30]3[CH2:29][CH2:28][N:27]([CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:32][CH2:31]3)[cH:38][cH:37]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7372594-(4-Benzylpiperazin-1-yl)anilineHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11706422HCID 11706422, compound

Sources & evidence

ORD record
ord-6fce058aed984297bc2fafb7bf48ad9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…