Dichloromethane → 3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

HRID 1553180Notes

Reaction equation

HRID 1553180 reaction equation
[CH3:1][N:2]([C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]2[c:9]([n:23][cH:24]1)[NH:10][CH2:11][CH2:12][CH2:13][N:14]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH2:15]2)=[O:25])[CH2:26][c:27]1[o:28][c:29]2[c:30]([c:31]1[CH3:32])[cH:33][cH:34][cH:35][cH:36]2.[Cl:44][CH2:45][Cl:46].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[CH3:1][N:2]([C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]2[c:9]([n:23][cH:24]1)[NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:15]2)=[O:25])[CH2:26][c:27]1[o:28][c:29]2[c:30]([c:31]1[CH3:32])[cH:33][cH:34][cH:35][cH:36]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68412766tert-butyl 8-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocine-5-carboxylate

Product 1

HCID 684136273-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-3bcfe20c903a454db27d4827d3abffee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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