Dimethyl Sulfoxide → [3,5-Dichloro-4-(3,8-dihydroimidazo[4,5-d]dipyrido[2,3-b: 4',3'-f]azepin-2-yl)phenyl]acetonitrile

HRID 676227Notes

Reaction equation

HRID 676227 reaction equation
[CH3:32][S:33](=[O:34])[CH3:35].[CH3:36][OH:37].[Cl:1][c:2]1[c:3](-[c:11]2[nH:12][c:13]3[c:14]([n:28]2)-[c:15]2[c:16]([n:24][cH:25][cH:26][cH:27]2)[NH:17][c:18]2[c:19]-3[cH:20][cH:21][n:22][cH:23]2)[c:4]([Cl:10])[cH:5][c:6]([CH2:8][Cl:9])[cH:7]1.[Na:29][C:30]#[N:31]>>[Cl:1][c:2]1[c:3](-[c:11]2[nH:12][c:13]3[c:14]([n:28]2)-[c:15]2[c:16]([n:24][cH:25][cH:26][cH:27]2)[NH:17][c:18]2[c:19]-3[cH:20][cH:21][n:22][cH:23]2)[c:4]([Cl:10])[cH:5][c:6]([CH2:8][C:30]#[N:31])[cH:7]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 66887168HCID 66887168, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 16071908[3,5-Dichloro-4-(3,8-dihydroimidazo[4,5-d]dipyrido[2,3-b: 4',3'-f]azepin-2-yl)phenyl]acetonitrile

Sources & evidence

ORD record
ord-66f5de6d6e54468caaa1d1a276fe5c0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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