Acetate → 3-(1-Oxido-7,8-dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-yl)-1-propanol

HRID 191563Notes

Reaction equation

HRID 191563 reaction equation
[BH4-:25].[C:59]([OH:60])(=[O:61])[CH3:62].[CH3:28][CH2:29][CH2:30][CH2:31][N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[CH3:48][OH:49].[Cl-:27].[I:1][c:2]1[n:3][n+:4]([O-:15])[c:5]2[c:6]([n:7]1)[cH:8][c:9]1[c:13]([cH:14]2)[CH2:12][CH2:11][CH2:10]1.[Na+:24].[Na+:26].[O-:20][C:21]([OH:22])=[O:23].[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[OH:16][CH2:17][CH:18]=[CH2:19].[Pd+2:50]>>[c:2]1([CH2:19][CH2:18][CH2:17][OH:16])[n:3][n+:4]([O-:15])[c:5]2[c:6]([n:7]1)[cH:8][c:9]1[c:13]([cH:14]2)[CH2:12][CH2:11][CH2:10]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 176Acetic AcidHCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 7858Allyl AlcoholHCID 16028TetrabutylammoniumHCID 28123BorohydrideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 16081315HCID 16081315, compound

Product 1

HCID 119516443-(1-Oxido-7,8-dihydro-6H-indeno[5,6-e][1,2,4]triazin-3-yl)-1-propanol

Sources & evidence

ORD record
ord-f913415cc72f41518661772e7d96de8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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