1-Butanol → HCID 13506776, compound

HRID 286509Notes

Reaction equation

HRID 286509 reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:6]([CH3:27])[NH:7][C:8]2=[C:13]([C:12](=[O:26])[CH2:11][NH:10][CH2:9]2)[CH:14]1[c:15]1[c:16]([F:25])[c:17]([F:24])[c:18]([F:23])[c:19]([F:22])[c:20]1[F:21].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][CH2:36][CH2:37][Br:38]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:6]([CH3:27])[NH:7][C:8]2=[C:13]([C:12](=[O:26])[CH2:11][N:10]([CH2:37][CH2:36][CH2:35][O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:9]2)[CH:14]1[c:15]1[c:16]([F:25])[c:17]([F:24])[c:18]([F:23])[c:19]([F:22])[c:20]1[F:21]

Participants

6

Reactant 5

HCID 2631-ButanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 68522Benzene, (3-bromopropoxy)-HCID 130617581,4,5,6,7,8-Hexahydro-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,7-naphthyridine-3-carboxylic Acid Methyl Ester

Product 1

HCID 13506776HCID 13506776, compound

Sources & evidence

ORD record
ord-e23a66e674e14fb2be677372a221821e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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