Ammonium → (2-(4-(1,3-Dioxan-2-yl)-2-fluorophenyl)benzo[d]thiazol-6-yl)(pyridine-2-yl)methanone

HRID 668461Notes

Reaction equation

HRID 668461 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl-:1].[Cl-:37].[NH4+:38].[O:9]1[CH:10]([c:15]2[cH:16][c:17]([F:36])[c:18](-[c:21]3[s:22][c:23]4[c:24]([n:25]3)[cH:26][cH:27][c:28]([C:30](=[O:31])[N:32]([O:33][CH3:34])[CH3:35])[cH:29]4)[cH:19][cH:20]2)[O:11][CH2:12][CH2:13][CH2:14]1.[n:2]1[c:3]([Mg+:8])[cH:4][cH:5][cH:6][cH:7]1>>[n:2]1[c:3]([C:30]([c:28]2[cH:27][cH:26][c:24]3[c:23]([s:22][c:21](-[c:18]4[c:17]([F:36])[cH:16][c:15]([CH:10]5[O:9][CH2:14][CH2:13][CH2:12][O:11]5)[cH:20][cH:19]4)[n:25]3)[cH:29]2)=[O:31])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312Chloride2×HCID 8028TetrahydrofuranHCID 866387232-(4-(1,3-dioxan-2-yl)-2-fluorophenyl)-N-methoxy-N-methylbenzo[d]thiazole-6-carboxamideHCID 178507014HCID 178507014, compound

Product 1

HCID 67111530(2-(4-(1,3-Dioxan-2-yl)-2-fluorophenyl)benzo[d]thiazol-6-yl)(pyridine-2-yl)methanone

Sources & evidence

ORD record
ord-3eff0ae8f2d94571baca0c69e0b114cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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