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

HRID 2318339Notes

Reaction equation

HRID 2318339 reaction equation
[C:52]([BH3-:53])#[N:54].[CH3:60][OH:61].[CH3:62][C:63](=[O:64])[OH:65].[CH:56]([Cl:57])([Cl:58])[Cl:59].[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+:55].[O-:34][S:35](=[O:36])(=[O:37])[O-:38].[n:39]1[cH:40][c:41](-[c:45]2[cH:46][cH:47][c:48]([CH:50]=[O:51])[s:49]2)[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)[CH2:50][c:48]1[cH:47][cH:46][c:45](-[c:41]2[cH:40][n:39][cH:44][cH:43][cH:42]2)[s:49]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 108994275-(Pyridin-3-yl)thiophene-2-carbaldehydeHCID 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 99386751-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethylphenyl)-3-{2-[(5-pyridin-3-yl-thiophen-2-ylmethyl)amino]ethyl}-1H-indol-5-yl)-2-methylpropan-1-one

Sources & evidence

ORD record
ord-c97daf4ba81d4a41b4c61e336a41b0d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…