Acetic Acid → HCID 68750968, compound

HRID 1123488Notes

Reaction equation

HRID 1123488 reaction equation
[C:1]([BH3-:2])#[N:3].[CH2:56]([O:57][C:59]1([O:58][Si:62]([CH3:63])([CH3:64])[CH3:65])[CH2:60][CH2:61]1)[CH3:66].[CH3:67][C:68](=[O:69])[OH:70].[CH3:71][OH:72].[F:4][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[CH2:18][c:19]2[c:20]([F:53])[cH:21][cH:22][c:23](-[c:25]3[cH:26][c:27]4[c:28]([n:29]([C:32]([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[n:30][n:31]4)[cH:51][cH:52]3)[cH:24]2)[cH:54][cH:55]1>>[F:4][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([CH:12]2[CH2:13][CH2:14][N:15]([CH:59]3[CH2:60][CH2:61]3)[CH2:16][CH2:17]2)[CH2:18][c:19]2[c:20]([F:53])[cH:21][cH:22][c:23](-[c:25]3[cH:26][c:27]4[c:28]([n:29]([C:32]([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[n:30][n:31]4)[cH:51][cH:52]3)[cH:24]2)[cH:54][cH:55]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 68750976HCID 68750976, compound

Product 1

HCID 68750968HCID 68750968, compound

Sources & evidence

ORD record
ord-2d20f48c274348efbe4b177ce0601007
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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