Acetone → HCID 21505557, compound

HRID 1141295Notes

Reaction equation

HRID 1141295 reaction equation
[C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])(=[O:40])[Cl:41].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][OH:26])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2.[CH3:60][C:61](=[O:62])[CH3:63].[CH:56]([Cl:57])([Cl:58])[Cl:59].[NH4+:64].[OH-:65].[OH:42][C:43]([CH:44]=[CH:45][C:46](=[O:47])[OH:48])=[O:49].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][O:26][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])=[O:40])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2

Participants

9

Reactant 8

HCID 180AcetoneHCID 223AmmoniumHCID 241BenzeneHCID 7232-Butenedioic acidHCID 961HydroxideHCID 6212ChloroformHCID 8166Dodecanoyl chlorideHCID 114710HCID 114710, compound

Product 1

HCID 21505557HCID 21505557, compound

Sources & evidence

ORD record
ord-b60c29d653da460bbf286097ecd1b85d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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