Acetone → HCID 21505572, compound

HRID 1536235Notes

Reaction equation

HRID 1536235 reaction equation
[C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])(=[O:38])[Cl:39].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:29]1)[CH:10]([N:19]1[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][OH:28])[CH2:23][CH2:24]1)[CH2:11][c:12]1[c:13]([cH:15][cH:16][cH:17][cH:18]1)[S:14]2.[CH3:58][C:59](=[O:60])[CH3:61].[CH:54]([Cl:55])([Cl:56])[Cl:57].[NH4+:62].[OH-:63].[OH:40][C:41]([CH:42]=[CH:43][C:44](=[O:45])[OH:46])=[O:47].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:29]1)[CH:10]([N:19]1[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][O:28][C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[O:38])[CH2:23][CH2:24]1)[CH2:11][c:12]1[c:13]([cH:15][cH:16][cH:17][cH:18]1)[S:14]2

Participants

9

Reactant 8

HCID 180AcetoneHCID 223AmmoniumHCID 241BenzeneHCID 7232-Butenedioic acidHCID 961HydroxideHCID 6212ChloroformHCID 8124Octanoyl chlorideHCID 21505566HCID 21505566, compound

Product 1

HCID 21505572HCID 21505572, compound

Sources & evidence

ORD record
ord-a5b6b2a521674403afde9e6e1fe1ac9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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