Methanol → HCID 86616086, compound

HRID 2339893Notes

Reaction equation

HRID 2339893 reaction equation
[BH4-:39].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:52][OH:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:28][NH2:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[Na+:40].[Na+:42].[OH-:41].[Ti+4:58].[c:1]1([CH3:22])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6]1>>[c:1]1([CH3:22])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[CH:13]([NH:29][CH2:28][c:27]3[cH:26][c:25]([C:24]([F:23])([F:37])[F:38])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30]3)[CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6]1

Participants

10

Reactant 9

HCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 8150DiglymeHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 2668521-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-oneHCID 5210993,5-Bis(trifluoromethyl)benzylamineHCID 3260420Isopropanolate4×

Product 1

HCID 86616086HCID 86616086, compound

Sources & evidence

ORD record
ord-ac570ac9ef3045ddacd427621efb93d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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