Ethanol → HCID 25029778, compound

HRID 1220092Notes

Reaction equation

HRID 1220092 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([NH:15][c:16]2[c:17]([F:23])[cH:18][c:19]([I:22])[cH:20][cH:21]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1)[CH3:3].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:68][CH2:69][OH:70].[CH:26](=[CH2:27])[O:28][CH2:29][CH2:30][O:31][NH2:32].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[Na+:25].[OH-:24].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[C:4](=[O:5])([c:6]1[c:7]([NH:15][c:16]2[c:17]([F:23])[cH:18][c:19]([I:22])[cH:20][cH:21]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1)[NH:32][O:31][CH2:30][CH2:29][O:28][CH:26]=[CH2:27]

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 21867017O-(2-(Vinyloxy)ethyl)hydroxylamineHCID 597038713-(2-Fluoro-4-iodo-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid ethyl ester

Product 1

HCID 25029778HCID 25029778, compound

Sources & evidence

ORD record
ord-84815aaf607647a7a1fca6a6175a6460
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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