Ethanol → 4-Methoxy-5''-methyl-5'-[5-(prop-1-yn-1-yl)pyridin-3-yl]dispiro[cyclohexane-1,2'-[1]benzofuran-3',2''-imidazol]-4''-amine

HRID 674868Notes

Reaction equation

HRID 674868 reaction equation
[Br:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:41]1)[C:25]1([C:26]3([CH2:27][CH2:28][CH:29]([O:32][CH3:33])[CH2:30][CH2:31]3)[O:34]2)[N:35]=[C:36]([CH3:40])[C:37]([NH2:39])=[N:38]1.[C:13](=[O:14])([O-:15])[O-:16].[C:1](#[C:2][CH3:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][n:8][cH:9]1.[CH3:42][CH2:43][OH:44].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cs+:17].[Cs+:18].[OH2:51]>>[C:1](#[C:2][CH3:3])[c:4]1[cH:5][c:6](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:41]2)[C:25]2([C:26]4([CH2:27][CH2:28][CH:29]([O:32][CH3:33])[CH2:30][CH2:31]4)[O:34]3)[N:35]=[C:36]([CH3:40])[C:37]([NH2:39])=[N:38]2)[cH:7][n:8][cH:9]1

Participants

8

Reactant 7

HCID 702EthanolHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 574164825-(1-Propynyl)pyridine-3-boronic Acid (contains varying amounts of Anhydride)HCID 679795525'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]-benzofuran-3',2''-imidazol]-4''-amine

Product 1

HCID 679793924-Methoxy-5''-methyl-5'-[5-(prop-1-yn-1-yl)pyridin-3-yl]dispiro[cyclohexane-1,2'-[1]benzofuran-3',2''-imidazol]-4''-amine

Sources & evidence

ORD record
ord-2bec16f8645e4c7c944fdb020d0a28c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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