Chloride → HCID 66851256, compound

HRID 667968Notes

Reaction equation

HRID 667968 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([c:16]3[cH:17][cH:18][c:19]([N+:22]([O-:23])=[O:24])[cH:20][cH:21]3)[CH2:13][CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[cH:7]1.[CH3:26][CH2:27][OH:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl-:25]>>[CH3:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[CH2:13][CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[cH:7]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 668515111-(4,6-Dimethyl-pyridin-2-yl)-4-(4-nitro-phenyl)-[1,4]diazepane

Product 1

HCID 66851256HCID 66851256, compound

Sources & evidence

ORD record
ord-4e4920277d864ef29d633a54cd2faa00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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