Ethanol → HCID 178431464, compound

HRID 2330415Notes

Reaction equation

HRID 2330415 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:23])[c:5]([NH:8][c:9]2[c:10]([C:18]([O:20][CH2:19][CH3:21])=[O:22])[s:11][c:12]3[cH:13][n:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:26][C:27]1([CH3:35])[O:28][CH2:29][CH:30]([CH2:32][O:33][NH2:34])[O:31]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][CH2:78][OH:79].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Na+:25].[OH-:24].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[Br:1][c:2]1[cH:3][c:4]([F:23])[c:5]([NH:8][c:9]2[c:10]([C:18](=[O:20])[NH:34][O:33][CH2:32][CH:30]3[CH2:29][O:28][C:27]([CH3:26])([CH3:35])[O:31]3)[s:11][c:12]3[cH:13][n:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 59703899Ethyl 3-(4-bromo-2-fluoro-phenylamino)-thieno[2,3-c]pyridine-2-carboxylate

Product 1

HCID 178431464HCID 178431464, compound

Sources & evidence

ORD record
ord-c4028cd3a5dc4157afa81c4a3e4e084b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…