Acetate → N-[6-(5-chloro-2-thienyl)-1,3-benzothiazol-2-yl]-N'-ethylurea

HRID 2323526Notes

Reaction equation

HRID 2323526 reaction equation
[Br:10][c:11]1[cH:12][c:13]2[c:14]([n:15][c:16]([NH:18][C:19](=[O:20])[NH:21][CH2:22][CH3:23])[s:17]2)[cH:24][cH:25]1.[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[N:48]([CH3:49])[CH3:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([B:7]([OH:8])[OH:9])[s:6]1.[F-:26].[K+:27].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[Pd+2:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:18][C:19](=[O:20])[NH:21][CH2:22][CH3:23])[s:17]3)[cH:24][cH:25]2)[s:6]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 80711,2-DimethoxyethaneHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 27343245-Chlorothiophene-2-boronic acidHCID 219855641-(6-Bromo-2-benzothiazolyl)-3-ethylurea

Product 1

HCID 21985583N-[6-(5-chloro-2-thienyl)-1,3-benzothiazol-2-yl]-N'-ethylurea

Sources & evidence

ORD record
ord-afd47f2fcdb149339e827085482a6df1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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