Acetone → HCID 178467205, compound

HRID 1118557Notes

Reaction equation

HRID 1118557 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH3:7])[O:8][CH:9]1[CH:10]([NH:50][C:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[C:11](=[O:49])[N:12]1[C:13](=[P:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[C:33](=[O:34])[O:35][CH:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:62][C:63](=[O:64])[CH3:65].[Na+:61].[OH-:60].[OH2:59]>>[O:3]=[C:4]([OH:5])[CH:6]([CH3:7])[O:8][CH:9]1[CH:10]([NH:50][C:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[C:11](=[O:49])[N:12]1[C:13](=[P:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[C:33](=[O:34])[O:35][CH:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178472192HCID 178472192, compound

Product 1

HCID 178467205HCID 178467205, compound

Sources & evidence

ORD record
ord-192ed86579e04d35852522b862ad36d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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