Acetone → HCID 178501519, compound

HRID 1127258Notes

Reaction equation

HRID 1127258 reaction equation
[C:43]([O:44][C:45]([NH:46][CH:47]1[CH2:48][CH2:49][NH:50][CH2:51]1)=[O:52])([CH3:53])([CH3:54])[CH3:55].[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:70][OH:71].[CH3:72][C:73](=[O:74])[CH3:75].[CH:1]1([c:7]2[c:8]3[c:9]([n:10]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[c:11]2-[c:12]2[c:13]([CH:18]=[O:19])[cH:14][cH:15][cH:16][cH:17]2)[cH:25][c:26]([C:28](=[O:29])[O:30][CH3:31])[s:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:34]([CH3:35])([CH3:36])[N:37]1[CH2:38][CH:39]([NH2:42])[CH2:40][CH2:41]1.[ClH:32].[ClH:33].[Na+:69]>>[CH:1]1([c:7]2[c:8]3[c:9]([n:10]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[c:11]2-[c:12]2[c:13]([CH2:18][NH:42][CH:39]4[CH2:38][N:37]([CH:34]([CH3:35])[CH3:36])[CH2:41][CH2:40]4)[cH:14][cH:15][cH:16][cH:17]2)[cH:25][c:26]([C:28](=[O:29])[O:30][CH3:31])[s:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 162445631-(Propan-2-yl)pyrrolidin-3-amineHCID 86629783methyl 6-cyclohexyl-5-(2-formylphenyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

Product 1

HCID 178501519HCID 178501519, compound

Sources & evidence

ORD record
ord-3fdc7235ae764c7aaf60c987e6d67ac0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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