Acetate → [1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine

HRID 2138093Notes

Reaction equation

HRID 2138093 reaction equation
[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[Cl:59][c:60]1[n:61][c:62]([CH3:65])[n:63][s:64]1.[ClH:26].[ClH:27].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[OH2:72].[Pd+2:73].[c:28]1([CH:34]2[CH2:35][CH2:36][CH2:37][c:38]3[c:39]2[n:40][c:41]([NH:43][CH:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[s:42]3)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:28]1([CH:34]2[CH2:35][CH2:36][CH2:37][c:38]3[c:39]2[n:40][c:41]([NH:43][CH:44]2[CH2:45][CH2:46][N:47]([c:60]4[n:61][c:62]([CH3:65])[n:63][s:64]4)[CH2:48][CH2:49]2)[s:42]3)[cH:29][cH:30][cH:31][cH:32][cH:33]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric Acid2×HCID 962WaterHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 129191595-Chloro-3-methyl-1,2,4-thiadiazoleHCID 86656699HCID 86656699, compound

Product 1

HCID 53354635[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine

Sources & evidence

ORD record
ord-cce4dac96c92438fa881d99f332bfa4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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