1-(4-bromo-1H-imidazol-1-yl)-2-methylpropan-2-ol → 1-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-imidazol-1-yl)-2-methylpropan-2-ol

HRID 1221352Notes

Reaction equation

HRID 1221352 reaction equation
[Br:33][c:34]1[n:35][cH:36][n:37]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[cH:38]1.[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:32])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:32])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:34]3[n:35][cH:36][n:37]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[cH:38]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

3

Reactant 2

HCID 582043401-(4-bromo-1H-imidazol-1-yl)-2-methylpropan-2-olHCID 582043852-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 683536901-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-imidazol-1-yl)-2-methylpropan-2-ol

Sources & evidence

ORD record
ord-9f311029b5604c96927bb832056bb56b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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