1,2-Dichloroethane → 6-[1-(1,1-Dioxo-1,3-thiazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]-9-fluoro-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-5-one

HRID 311650Notes

Reaction equation

HRID 311650 reaction equation
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[ClH:37].[ClH:38].[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:32].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1.[S:39]1(=[O:44])(=[O:45])[CH2:40][NH:41][CH2:42][CH2:43]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:15])[N:41]2[CH2:40][S:39](=[O:44])(=[O:45])[CH2:43][CH2:42]2)[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 18509075Thiazolidine 1,1-dioxideHCID 67224725HCID 67224725, compound

Product 1

HCID 753015966-[1-(1,1-Dioxo-1,3-thiazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]-9-fluoro-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-5-one

Sources & evidence

ORD record
ord-a30da80bfbc64dbeb2ac16f2b07bf889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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