proline dl-form → HCID 68514091, compound

HRID 1539820Notes

Reaction equation

HRID 1539820 reaction equation
[CH3:45][N:46]([C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH:54]1[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[CH3:76][S:77]([CH3:78])=[O:79].[Cu:74][I:75].[F:1][c:2]1[cH:3][c:4]([NH:28][C:29](=[O:30])[c:31]2[c:32](=[O:44])[n:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[n:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2[I:18].[K+:68].[K+:69].[NH:60]1[CH2:61][CH2:62][CH2:63][CH:64]1[C:65]([OH:66])=[O:67].[O-:70][C:71]([O-:72])=[O:73]>>[F:1][c:2]1[cH:3][c:4]([NH:28][C:29](=[O:30])[c:31]2[c:32](=[O:44])[n:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[n:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2[N:57]1[CH2:56][CH2:55][CH:54]([N:46]([CH3:45])[C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH2:59][CH2:58]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27568064-N-Boc-4-N-Methyl-aminopiperidineHCID 68513145HCID 68513145, compound

Product 1

HCID 68514091HCID 68514091, compound

Sources & evidence

ORD record
ord-9fd2713c73364bd39a894be9ef3ecaf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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