Acetate → N-[2-(4-cyclopropylpiperazin-1-yl)benzothiazol-6-yl]acetamide

HRID 109638Notes

Reaction equation

HRID 109638 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][N:12]([CH:15]4[CH2:16][CH2:17]4)[CH2:13][CH2:14]3)[s:8]2)[cH:18][cH:19]1.[C:24](=[O:25])([O-:26])[O-:27].[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH3:20][C:21]([NH2:22])=[O:23].[Cs+:28].[Cs+:29].[O-:38][C:39]([CH3:40])=[O:41].[O-:42][C:43]([CH3:44])=[O:45].[OH2:30].[Pd+2:37]>>[c:2]1([NH:22][C:21]([CH3:20])=[O:23])[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][N:12]([CH:15]4[CH2:16][CH2:17]4)[CH2:13][CH2:14]3)[s:8]2)[cH:18][cH:19]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 178AcetamideHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 595888036-Bromo-2-(4-cyclopropylpiperazin-1-yl)benzothiazole

Product 1

HCID 23728857N-[2-(4-cyclopropylpiperazin-1-yl)benzothiazol-6-yl]acetamide

Sources & evidence

ORD record
ord-4245357e80d3433b9a5b1646ef0de902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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