Acetonitrile → HCID 11591967, compound

HRID 304721Notes

Reaction equation

HRID 304721 reaction equation
[CH3:40][C:41]#[N:42].[Cl:1][C:2]1=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH:23]([F:24])[F:25])[cH:20][cH:21]2)[C:3]1=[O:26].[O:27]1[CH2:28][CH2:29][N:30]([c:33]2[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]2)[CH2:31][CH2:32]1>>[C:2]1([NH:37][c:36]2[cH:35][cH:34][c:33]([N:30]3[CH2:29][CH2:28][O:27][CH2:32][CH2:31]3)[cH:39][cH:38]2)=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH:23]([F:24])[F:25])[cH:20][cH:21]2)[C:3]1=[O:26]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 75655Benzenamine, 4-(4-morpholinyl)-HCID 686617234-Chloro-2-[4-(difluoromethoxy)benzyl]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11591967HCID 11591967, compound

Sources & evidence

ORD record
ord-bf4a69cd97ea4f5480e6ed6ddf841223
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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