Water → HCID 57725647, compound

HRID 293117Notes

Reaction equation

HRID 293117 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][S:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([OH:12])[cH:11]2.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:13][c:14]1[cH:15][c:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:17][cH:18][cH:19]1.[Cs+:31].[Cs+:32].[OH2:33]>>[CH3:1][S:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([O:12][c:14]1[cH:15][c:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:17][cH:18][cH:19]1)[cH:11]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 11806045tert-Butyl 4-chloropicolinateHCID 450774142-(Methylsulfanyl)-1,3-benzothiazol-6-ol

Product 1

HCID 57725647HCID 57725647, compound

Sources & evidence

ORD record
ord-771d488953de40cbadedcd7e4cc98d10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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