Ethanol → HCID 24795031, compound

HRID 115045Notes

Reaction equation

HRID 115045 reaction equation
[BH4-:33].[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:41][CH2:42][OH:43].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:57][CH:58]([CH3:59])[O-:60].[Na+:34].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]3[c:16]([CH3:25])[c:17]4[c:18]([s:19]3)[cH:20][cH:21][c:22]([Cl:24])[cH:23]4)[cH:9][c:10]21.[Ti+4:48]>>[CH:2]1([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]3[c:16]([CH3:25])[c:17]4[c:18]([s:19]3)[cH:20][cH:21][c:22]([Cl:24])[cH:23]4)[cH:9][c:10]21

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 28123BorohydrideHCID 531671-MethylpiperazineHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 24794483HCID 24794483, compound

Product 1

HCID 24795031HCID 24795031, compound

Sources & evidence

ORD record
ord-a375772bce8a4c079a87ef3651f977f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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