Sodium ion → 2-Butenedioic acid

HRID 153659Notes

Reaction equation

HRID 153659 reaction equation
[C:39]([CH:40]=[CH:41][C:42](=[O:43])[O-:44])(=[O:45])[O-:46].[CH2:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[NH2:36].[CH3:22][I:23].[CH:47]([Cl:48])([Cl:49])[Cl:50].[Na+:38].[OH-:37].[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][N:11]([CH:14]=[S:15])[CH2:12][CH2:13]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[C:39]([CH:40]=[CH:41][C:42](=[O:43])[OH:44])(=[O:45])[OH:46].[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][N:11]([CH:14]=[N:36][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:12][CH2:13]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6212ChloroformHCID 6328Methyl iodideHCID 13583DodecylamineHCID 164547ButenedioateHCID 130978784-(Diphenylmethyl)-1-piperidinecarbothioaldehyde

Product 2

HCID 7232-Butenedioic acidHCID 202912271-(4-benzhydrylpiperidin-1-yl)-N-dodecylmethanimine

Sources & evidence

ORD record
ord-6cdc704efa0c4853a95da5baeb4aeb37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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