Acetic Acid → 1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[2-(2-pyridin-3-yl-ethylamino)-ethyl]-1H-indol-5-yl)-2-methylpropan-1-one

HRID 1203767Notes

Reaction equation

HRID 1203767 reaction equation
[C:48]([BH3-:49])#[N:50].[CH3:56][OH:57].[CH3:58][C:59](=[O:60])[OH:61].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Mg+2:33].[NH2:1][CH2:2][CH2:3][c:4]1[c:5](-[c:25]2[cH:26][c:27]([CH3:32])[cH:28][c:29]([CH3:31])[cH:30]2)[nH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14](=[O:15])[N:16]3[CH:17]4[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)([CH3:23])[CH3:24])[cH:11][c:12]12.[Na+:51].[O-:34][S:35](=[O:36])(=[O:37])[O-:38].[n:39]1[cH:40][c:41]([CH2:45][CH:46]=[O:47])[cH:42][cH:43][cH:44]1>>[NH:1]([CH2:2][CH2:3][c:4]1[c:5](-[c:25]2[cH:26][c:27]([CH3:32])[cH:28][c:29]([CH3:31])[cH:30]2)[nH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14](=[O:15])[N:16]3[CH:17]4[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)([CH3:23])[CH3:24])[cH:11][c:12]12)[CH2:46][CH2:45][c:41]1[cH:40][n:39][cH:44][cH:43][cH:42]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 11073404Pyridin-3-ylacetaldehydeHCID 117617912-[3-(2-Aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-1-(7-azabicyclo[2.2.1]hept-7-yl)-2-methyl-propan-1-one

Product 1

HCID 221206711-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[2-(2-pyridin-3-yl-ethylamino)-ethyl]-1H-indol-5-yl)-2-methylpropan-1-one

Sources & evidence

ORD record
ord-3b6fbb66df644e5bad20d9e0664a4f21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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