Ethanol → HCID 67051950, compound

HRID 206323Notes

Reaction equation

HRID 206323 reaction equation
[CH3:27][S:28][C:29](=[CH:30][N+:31](=[O:32])[O-:33])[S:34][CH3:35].[CH3:36][CH2:37][OH:38].[NH2:1][CH2:2][C:3]1([OH:26])[CH2:4][N:5]([C:7](=[O:8])[c:9]2[c:10]([NH:17][c:18]3[c:19]([F:25])[cH:20][c:21]([I:24])[cH:22][cH:23]3)[c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2)[CH2:6]1>>[NH:1]([CH2:2][C:3]1([OH:26])[CH2:4][N:5]([C:7](=[O:8])[c:9]2[c:10]([NH:17][c:18]3[c:19]([F:25])[cH:20][c:21]([I:24])[cH:22][cH:23]3)[c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2)[CH2:6]1)[C:29]([S:28][CH3:27])=[CH:30][N+:31](=[O:32])[O-:33]

Participants

4

Reactant 3

HCID 702EthanolHCID 836231,1-Bis(methylthio)-2-nitroethyleneHCID 16222191[3-(Aminomethyl)-3-hydroxy-1-azetidinyl][3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]methanone

Product 1

HCID 67051950HCID 67051950, compound

Sources & evidence

ORD record
ord-0fb9ff3b438a4bb693b5cd98ebb74419
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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