Acetic Acid → HCID 18348172, compound

HRID 1134677Notes

Reaction equation

HRID 1134677 reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH:21]([CH2:22][CH3:23])=[O:24].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1.[Na+:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH-:34].[nH:25]1[cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH:21]([CH2:22][CH3:23])[c:27]3[cH:26][nH:25][c:33]4[c:28]3[cH:29][cH:30][cH:31][cH:32]4)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 527PropanalHCID 798IndoleHCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 9340NorchlorcyclizineHCID 312751,4-Dioxane

Product 1

HCID 18348172HCID 18348172, compound

Sources & evidence

ORD record
ord-651250581fd943dc89191e4801948c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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