Dimethyl Sulfoxide → HCID 25060179, compound

HRID 135156Notes

Reaction equation

HRID 135156 reaction equation
[BH4-:26].[CH2:56]([CH2:57][O:58][CH3:59])[O:60][CH3:61].[CH3:30][OH:31].[CH3:32][S:33]([CH3:34])=[O:35].[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[CH:1]12[CH2:2][C:3](=[O:9])[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8]2.[Cl:53][CH2:54][Cl:55].[NH:10]1[CH2:11][CH2:12][C:13]2([c:14]3[c:15]([cH:20][cH:21][cH:22][cH:23]3)[NH:16][C:17](=[O:19])[O:18]2)[CH2:24][CH2:25]1.[Na+:27].[Na+:29].[OH-:28].[Ti+4:52]>>[CH:1]12[CH2:2][CH:3]([N:10]3[CH2:11][CH2:12][C:13]4([c:14]5[c:15]([cH:20][cH:21][cH:22][cH:23]5)[NH:16][C:17](=[O:19])[O:18]4)[CH2:24][CH2:25]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8]2

Participants

12

Reactant 11

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 139709Bicyclo[3.2.1]octan-3-oneHCID 3260420Isopropanolate4×HCID 13050639Spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one

Product 1

HCID 25060179HCID 25060179, compound

Sources & evidence

ORD record
ord-ad25e6c08b1c4edf959233fd35a9af67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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