Acetone → HCID 23345940, compound

HRID 1211258Notes

Reaction equation

HRID 1211258 reaction equation
[Br:1][CH2:2][C:3]1([CH3:28])[S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[O:10][CH2:11][C:12]([Cl:13])([Cl:14])[Cl:15])[C:16](=[O:27])[CH:17]2[NH:18][C:19]([CH2:20][n:21]1[n:22][n:23][n:24][cH:25]1)=[O:26].[CH3:29][n:30]1[n:31][n:32][n:33][c:34]1[SH:35].[CH3:41][C:42](=[O:43])[CH3:44].[O-:36][P:37](=[O:38])([O-:39])[O-:40]>>[CH2:2]([C:3]1([CH3:28])[S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[O:10][CH2:11][C:12]([Cl:13])([Cl:14])[Cl:15])[C:16](=[O:27])[CH:17]2[NH:18][C:19]([CH2:20][n:21]1[n:22][n:23][n:24][cH:25]1)=[O:26])[S:35][c:34]1[n:30]([CH3:29])[n:31][n:32][n:33]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 1061PhosphateHCID 23345967HCID 23345967, compoundHCID 178482017HCID 178482017, compound

Product 1

HCID 23345940HCID 23345940, compound

Sources & evidence

ORD record
ord-1c79362205244fb8a88d82d578652981
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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