Acetic Acid → HCID 67292311, compound

HRID 196795Notes

Reaction equation

HRID 196795 reaction equation
[C:60]([BH3-:61])#[N:62].[CH3:24][C:25](=[O:26])[OH:27].[CH3:64][OH:65].[Cl:28][c:29]1[c:30]([CH2:57][CH:58]=[O:59])[cH:31][cH:32][cH:33][c:34]1[CH2:35][N:36]1[CH2:37][CH2:38][C:39]2([CH2:40][N:41]([C:45](=[O:46])[c:47]3[n:48][c:49]([CH:52]([CH3:53])[CH3:54])[s:50][cH:51]3)[CH2:42][CH2:43][O:44]2)[CH2:55][CH2:56]1.[NH2:1][CH2:2][CH:3]([O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]2[c:19]([OH:22])[cH:20][cH:21]1.[Na+:63]>>[NH:1]([CH2:2][CH:3]([O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]2[c:19]([OH:22])[cH:20][cH:21]1)[CH2:58][CH2:57][c:30]1[c:29]([Cl:28])[c:34]([CH2:35][N:36]2[CH2:37][CH2:38][C:39]3([CH2:40][N:41]([C:45](=[O:46])[c:47]4[n:48][c:49]([CH:52]([CH3:53])[CH3:54])[s:50][cH:51]4)[CH2:42][CH2:43][O:44]3)[CH2:55][CH2:56]2)[cH:33][cH:32][cH:31]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 218806025-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-quinolin-2-oneHCID 579889712-(2-Chloro-3-((4-(2-isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenyl)acetaldehyde

Product 1

HCID 67292311HCID 67292311, compound

Sources & evidence

ORD record
ord-e88bed1f05214726b9bd3d7bcfc61e0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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