Dimethyl Sulfoxide → HCID 87307696, compound

HRID 693840Notes

Reaction equation

HRID 693840 reaction equation
[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:5][S:6]([CH3:7])=[O:8].[CH:1]1([NH2:4])[CH2:2][CH2:3]1.[OH2:44].[c:9]1([O:15][C:16](=[O:10])[NH:17][c:18]2[c:19]([F:42])[cH:20][c:21]([O:24][c:25]3[cH:26][cH:27][n:28][c:29]4[cH:30][c:31]([O:37][CH2:38][CH:39]5[O:40][CH2:41]5)[c:32]([C:35]#[N:36])[cH:33][c:34]34)[cH:22][cH:23]2)[cH:11][cH:12][cH:13][cH:14][cH:43]1>>[CH:1]1([NH:4][C:16](=[O:15])[NH:17][c:18]2[c:19]([F:42])[cH:20][c:21]([O:24][c:25]3[cH:26][cH:27][n:28][c:29]4[cH:30][c:31]([O:37][CH2:38][CH:39]5[O:40][CH2:41]5)[c:32]([C:35]#[N:36])[cH:33][c:34]34)[cH:22][cH:23]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 69828CyclopropylamineHCID 87309795HCID 87309795, compound

Product 1

HCID 87307696HCID 87307696, compound

Sources & evidence

ORD record
ord-bdba6a04e146499daa46dc88bf5c93be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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