Acetic Acid → HCID 58529960, compound

HRID 1569119Notes

Reaction equation

HRID 1569119 reaction equation
[C:53]([BH3-:54])#[N:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([CH2:27][c:28]4[cH:29][cH:30][c:31]5[c:36]([cH:37]4)[CH2:35][NH:34][CH2:33][CH2:32]5)[n:20]4[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]34)[cH:13][cH:14][c:15]2[cH:16]1.[CH2:38]([O:39][C:41]1([O:40][Si:44]([CH3:45])([CH3:46])[CH3:47])[CH2:42][CH2:43]1)[CH3:48].[CH3:49][C:50](=[O:51])[OH:52].[CH3:57][OH:58].[Na+:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[cH:11][c:12](-[c:17]3[cH:18][c:19]([CH2:27][c:28]4[cH:29][cH:30][c:31]5[c:36]([cH:37]4)[CH2:35][N:34]([CH:41]4[CH2:42][CH2:43]4)[CH2:33][CH2:32]5)[n:20]4[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]34)[cH:13][cH:14][c:15]2[cH:16]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 58529408HCID 58529408, compound

Product 1

HCID 58529960HCID 58529960, compound

Sources & evidence

ORD record
ord-d48381d49d7a4765b4279c732d925652
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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