1,2-Dichloroethane → 6-[1-(1,1-Dioxo-1,4-thiazinan-4-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 286364Notes

Reaction equation

HRID 286364 reaction equation
[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[ClH:22].[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:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1.[S:23]1(=[O:29])(=[O:30])[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]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:14])[N:26]2[CH2:25][CH2:24][S:23](=[O:29])(=[O:30])[CH2:28][CH2:27]2)[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 6484228Thiomorpholine 1,1-dioxideHCID 67224725HCID 67224725, compound

Product 1

HCID 753020166-[1-(1,1-Dioxo-1,4-thiazinan-4-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-85f7ccb540c94a5db143531ec3f0241f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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