1,2-Dichloroethane → N1-(5-bromobenzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine

HRID 1148367Notes

Reaction equation

HRID 1148367 reaction equation
[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.[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]([CH:30]=[O:31])[cH:28][cH:29]2)[cH:22][cH:23]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:50][CH2:51][CH2:52][Cl:53].[Na+:45]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:30][c:27]3[cH:26][cH:25][c:24](-[c:21]4[cH:20][cH:19][c:18]([O:17][CH3:16])[cH:23][cH:22]4)[cH:29][cH:28]3)[n:8][s:9]2)[cH:15]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 13944874'-Methoxy-(1,1'-biphenyl)-4-carboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 58726901N1-(5-bromobenzo[d]isothiazol-3-yl)propane-1,3-diamine

Product 1

HCID 58727092N1-(5-bromobenzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine

Sources & evidence

ORD record
ord-907e189e0d044a019cd51bdadf5b2673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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