Acetic Acid → Benzo[1,3]dioxol-5-ylmethyl-(5-butyl-3-chloro-6-phenyl-pyridazin-4-ylmethyl)-(3-ethoxy-benzyl)-amine

HRID 186550

Reaction equation

HRID 186550 reaction equation
[C:53]([OH:54])(=[O:55])[CH3:56].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][cH:11]1.[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[O:12]1[CH2:13][O:14][c:15]2[c:16]1[cH:17][cH:18][c:19]([CH2:21][NH:22][CH2:23][c:24]1[c:25]([Cl:40])[n:26][n:27][c:28](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:29]1[CH2:30][CH2:31][CH2:32][CH3:33])[cH:20]2>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:7][N:22]([CH2:21][c:19]2[cH:18][cH:17][c:16]3[c:15]([cH:20]2)[O:14][CH2:13][O:12]3)[CH2:23][c:24]2[c:25]([Cl:40])[n:26][n:27][c:28](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:29]2[CH2:30][CH2:31][CH2:32][CH3:33])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8058HexaneHCID 8857Ethyl AcetateHCID 899083-EthoxybenzaldehydeHCID 18438149Benzo[1,3]dioxol-5-ylmethyl (5-butyl-3-chloro-6-phenyl-pyridazin-4-ylmethyl)-amine

Product 1

HCID 18437597Benzo[1,3]dioxol-5-ylmethyl-(5-butyl-3-chloro-6-phenyl-pyridazin-4-ylmethyl)-(3-ethoxy-benzyl)-amine

Sources & evidence

ORD record
ord-8740c75b625f45e79d9cff713a303abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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