(Aminooxy)acetic acid → HCID 136052314, compound

HRID 185227Notes

Reaction equation

HRID 185227 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:23][c:24]3[cH:25][cH:26][c:27](-[c:30]4[c:31](-[c:36]5[n:37][o:38][c:39](=[O:41])[nH:40]5)[cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[c:8](=[O:22])[n:9]([CH2:12][C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[c:10]2=[O:11])[s:42]1.[CH3:60][CH2:61][OH:62].[CH:56]([Cl:57])([Cl:58])[Cl:59].[ClH:54].[NH2:43][O:44][CH2:45][C:46](=[O:47])[OH:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:55]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:23][c:24]3[cH:25][cH:26][c:27](-[c:30]4[c:31](-[c:36]5[n:37][o:38][c:39](=[O:41])[nH:40]5)[cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[c:8](=[O:22])[n:9]([CH2:12][C:13]([c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)=[N:43][O:44][CH2:45][C:46](=[O:47])[OH:48])[c:10]2=[O:11])[s:42]1

Participants

9

Reactant 8

HCID 286(Aminooxy)acetic acidHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 1360523186-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Product 1

HCID 136052314HCID 136052314, compound

Sources & evidence

ORD record
ord-47946e1ad31b4fe4abd6893512ed3da0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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