1-Butanol → HCID 60198101, compound

HRID 1574581Notes

Reaction equation

HRID 1574581 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([S:28](=[O:29])(=[O:30])[NH:31][CH2:32][CH3:33])[s:27]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[NH2:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[C:17](=[O:21])[NH:16][CH2:15][CH2:14]3)[cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][n:7]1.[Na+:38].[Na+:39].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[NH2:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[C:17](=[O:21])[NH:16][CH2:15][CH2:14]3)[cH:4][c:5](-[c:23]2[cH:24][cH:25][c:26]([S:28](=[O:29])(=[O:30])[NH:31][CH2:32][CH3:33])[s:27]2)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 2631-ButanolHCID 923Sodium ion2×HCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 196811575-Bromo-N-ethyl-2-thiophenesulfonamideHCID 70654553HCID 70654553, compound

Product 1

HCID 60198101HCID 60198101, compound

Sources & evidence

ORD record
ord-47e52f10c8dd4f178dd663627f8c0bca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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