Pyridine → 9-[4-(4-Chloro-2-methylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

HRID 185987

Reaction equation

HRID 185987 reaction equation
[C:40]([O:41][Cu:42][O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[O:12]=[S:13]1(=[O:30])[N:14]=[C:15]2[N:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20][CH2:21][CH:22]2[c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1.[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[Cl:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([O:29][c:26]2[cH:25][cH:24][c:23]([CH:22]3[C:15]4=[N:14][S:13](=[O:12])(=[O:30])[CH2:18][CH2:17][N:16]4[CH2:19][CH2:20][CH2:21]3)[cH:28][cH:27]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 1049PyridineHCID 6342AcetonitrileHCID 5017600(4-Chloro-2-methylphenyl)boronic acidHCID 667477204-(2,2-Dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenolHCID 178476681HCID 178476681, compound

Product 1

HCID 668241819-[4-(4-Chloro-2-methylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Sources & evidence

ORD record
ord-946bde41fc9545ada16e4bf75e3ae5dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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