Dimethyl Sulfoxide → HCID 123644670, compound

HRID 2349299Notes

Reaction equation

HRID 2349299 reaction equation
[CH3:46][CH:47]([OH:48])[CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([Cl:20])[c:5]([F:19])[c:6]2[c:7]1[C:8](=[O:18])[N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2.[NH2:21][CH:22]1[CH:23]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH2:45]>>[Cl:1][c:2]1[n:3][c:4]([NH:21][CH:22]2[CH:23]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:24][CH2:25][CH2:26][CH2:27]2)[c:5]([F:19])[c:6]2[c:7]1[C:8](=[O:18])[N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 3268011tert-Butyl (2-aminocyclohexyl)carbamateHCID 86654739tert-Butyl 4,6-dichloro-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate

Product 1

HCID 123644670HCID 123644670, compound

Sources & evidence

ORD record
ord-bed1af02c0cd4bf6abe9da810711b490
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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