1,2-Dichloroethane → Methyl 2-[(4-{2-[benzyl(hexyl)amino]-2-oxoethyl}phenoxy)methyl]benzoate

HRID 87168

Reaction equation

HRID 87168 reaction equation
[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[NH:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[OH:18])[cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44].[ClH:41].[OH2:54]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:18])[N:29]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 485395Benzenemethanamine, N-hexyl-HCID 68869545[(4-{[2-(Methoxycarbonyl)benzyl]oxy}phenyl)]acetic acid

Product 1

HCID 69120595Methyl 2-[(4-{2-[benzyl(hexyl)amino]-2-oxoethyl}phenoxy)methyl]benzoate

Sources & evidence

ORD record
ord-3ef8c924713d4c3a9b99a134e505aed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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