1,2-Dichloroethane → methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(3-ethoxypropyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

HRID 141458

Reaction equation

HRID 141458 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:29]2)[CH:20]=[C:21]([C:25](=[O:26])[O:27][CH3:28])[CH2:22][CH2:23][NH:24]3)[cH:13][cH:14]1.[CH2:30]([CH3:31])[O:32][CH2:33][CH2:34][CH:35]=[O:36].[Cl:52][CH2:53][CH2:54][Cl:55].[Na+:50].[OH2:51]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:29]2)[CH:20]=[C:21]([C:25](=[O:26])[O:27][CH3:28])[CH2:22][CH2:23][N:24]3[CH2:35][CH2:34][CH2:33][O:32][CH2:30][CH3:31])[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 962WaterHCID 17755Propanal, 3-ethoxy-HCID 2724942TriacetoxyborohydrideHCID 22328987methyl 7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Product 1

HCID 22328951methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(3-ethoxypropyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Sources & evidence

ORD record
ord-4db3227bfd2c4b59a7205453c4fff5a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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