Methanol → HCID 46701917, compound

HRID 147471Notes

Reaction equation

HRID 147471 reaction equation
[C:42]([OH:43])([CH3:44])([CH3:45])[CH3:46].[CH3:47][OH:48].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4]([NH2:25])[n:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:19]4[cH:20][n:21][n:22]([CH3:24])[cH:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH:17]2[CH3:18])[cH:7]1.[NH:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31][CH2:32]1>>[c:2]1([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31][CH2:32]2)[n:3][c:4]([NH2:25])[n:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:19]4[cH:20][n:21][n:22]([CH3:24])[cH:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH:17]2[CH3:18])[cH:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 6386tert-ButanolHCID 68163Hexahydro-1,4-diazepineHCID 81531DiisopropylethylamineHCID 59402369HCID 59402369, compound

Product 1

HCID 46701917HCID 46701917, compound

Sources & evidence

ORD record
ord-1db08a097f15471ab320376238eb1687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…