Methanol → HCID 10521779, compound

HRID 1546390Notes

Reaction equation

[BH4-:28].[C:17]([CH3:18])(=[O:19])[c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]1.[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1.[CH3:30][CH:31]([CH3:32])[O-:33].[CH3:35][CH:36]([CH3:37])[O-:38].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:47][OH:48].[Na+:29].[Ti+4:34]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([CH:17]([CH3:18])[c:20]3[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]3)[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1

Participants

Reactant 7

HCID 887Methanol

HCID 923Sodium ion

HCID 28123Borohydride

HCID 802223-Acetylbenzonitrile

HCID 114942Titanium cation (4+)

HCID 3260420Isopropanolate4×

HCID 109440161-[2-(Propan-2-yloxy)phenyl]piperazine

Product 1

HCID 10521779HCID 10521779, compound

Sources & evidence

ORD record: ord-65aa904448fe4fe995a637a6bf39bb6b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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