Dichloromethane → Ethyl 4-(4-allyl-1,4-diazepan-1-yl)benzoate

HRID 180626Notes

Reaction equation

HRID 180626 reaction equation
[Br:1][CH2:2][CH:3]=[CH2:4].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:32][CH2:33][Cl:34].[N:5]1([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][cH:22]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10][CH2:11]1>>[CH2:2]([CH:3]=[CH2:4])[N:8]1[CH2:7][CH2:6][N:5]([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][cH:22]2)[CH2:11][CH2:10][CH2:9]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 7841Allyl bromideHCID 81531DiisopropylethylamineHCID 18425301Ethyl 4-(1,4-diazepan-1-yl)benzoate

Product 1

HCID 66589947Ethyl 4-(4-allyl-1,4-diazepan-1-yl)benzoate

Sources & evidence

ORD record
ord-3c7c04b94f0745bf9609328d5d8f898e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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