Dichloromethane → tert-Butyl 4-(3-(tert-butylcarbamoyl)benzyl)-1,4-diazepane-1-carboxylate

HRID 1124236Notes

Reaction equation

HRID 1124236 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[NH:19][C:20]([c:21]1[cH:22][c:23]([CH2:27][Cl:28])[cH:24][cH:25][cH:26]1)=[O:29].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13][CH2:14]1.[CH2:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37])[CH3:38].[Cl:44][CH2:45][Cl:46].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:27][c:23]2[cH:22][c:21]([C:20]([NH:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:29])[cH:26][cH:25][cH:24]2)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 43156221N-tert-butyl-3-(chloromethyl)benzamide

Product 1

HCID 57917580tert-Butyl 4-(3-(tert-butylcarbamoyl)benzyl)-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-812e52a5b693424aa754bb583fef4f7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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