Water → 5-chloro-N-[(2Z)-5-cyclopropyl-3-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methoxybenzamide

HRID 1214798Notes

Reaction equation

HRID 1214798 reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:1]1([c:4]2[n:5][n:6]([CH2:10][CH:11]3[O:12][CH2:13][CH2:14][CH2:15]3)[c:7](=[NH:9])[s:8]2)[CH2:2][CH2:3]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([O:26][CH3:27])[c:21]([C:22](=[O:23])[OH:24])[cH:25]1.[OH2:64].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH:1]1([c:4]2[n:5][n:6]([CH2:10][CH:11]3[O:12][CH2:13][CH2:14][CH2:15]3)[c:7](=[N:9][C:22]([c:21]3[c:20]([O:26][CH3:27])[cH:19][cH:18][c:17]([Cl:16])[cH:25]3)=[O:23])[s:8]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 769705-Chloro-o-anisic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666982515-cyclopropyl-3-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2(3H)-imine

Product 1

HCID 252627625-chloro-N-[(2Z)-5-cyclopropyl-3-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methoxybenzamide

Sources & evidence

ORD record
ord-df4dd1837f2a414183575fa1f886f8b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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