Acetic Acid → (1H-benzimidazol-2-ylmethyl)-(4-{[1-(2-methoxy-phenyl)-ethylamino]-methyl}-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine

HRID 2156388Notes

Reaction equation

HRID 2156388 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][O:2][c:3]1[c:4]([C:9]([CH3:10])=[O:11])[cH:5][cH:6][cH:7][cH:8]1.[nH:12]1[c:13]([CH2:21][N:22]([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][NH2:31])[cH:28][cH:29]2)[CH:32]2[CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][n:40][c:41]32)[n:14][c:15]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2>>[CH3:1][O:2][c:3]1[c:4]([CH:9]([CH3:10])[NH:31][CH2:30][c:27]2[cH:26][cH:25][c:24]([CH2:23][N:22]([CH2:21][c:13]3[nH:12][c:16]4[c:15]([n:14]3)[cH:20][cH:19][cH:18][cH:17]4)[CH:32]3[CH2:33][CH2:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][n:40][c:41]43)[cH:29][cH:28]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 684812'-MethoxyacetophenoneHCID 21985008N-[(1H-Benzo[d]imidazol-2-yl)methyl]-N-(4-(aminomethyl)-benzyl)-5,6,7,8-tetrahydroquinolin-8-amine

Product 1

HCID 20763950(1H-benzimidazol-2-ylmethyl)-(4-{[1-(2-methoxy-phenyl)-ethylamino]-methyl}-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine

Sources & evidence

ORD record
ord-8db733eae3504e8dbc7154bab154b56e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…