Acetate → N1-(5-Phenylbenzo[d]isothiazol-3-yl)propane-1,3-diamine
Reaction equation
[Br-:31].[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[n:8][s:9]2)[cH:15]1.[CH2:50]([Cl:51])[Cl:52].[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:49].[OH:16][B:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Pd+2:53]>>[c:2]1(-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[n:8][s:9]2)[cH:15]1Participants
11
Reactant 10
HCID 175Acetate2×
HCID 259Bromide ion
HCID 923Sodium ion2×
HCID 962Water
HCID 6344Dichloromethane
HCID 16028Tetrabutylammonium
HCID 19660Carbonate Ion
HCID 66827Phenylboronic Acid
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 58726901N1-(5-bromobenzo[d]isothiazol-3-yl)propane-1,3-diamineProduct 1
Sources & evidence
- ORD record
- ord-bc43ff61fb4f4fe3ab198e47e12a7b60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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