Ammonium → Citalopram

HRID 289664

Reaction equation

HRID 289664 reaction equation
[C:1]([OH:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[C:9]([CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])([c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[O:8][CH2:7]2.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[NH2:26][S:27](=[O:28])(=[O:29])[NH2:30].[NH4+:35].[OH-:36].[OH2:51].[S:31]([Cl:32])([Cl:33])=[O:34].[S:37]1(=[O:42])(=[O:43])[CH2:38][CH2:39][CH2:40][CH2:41]1>>[C:1]([c:4]1[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[C:9]([CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])([c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[O:8][CH2:7]2)#[N:26]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 8900HeptaneHCID 24386Thionyl ChlorideHCID 31347SulfolaneHCID 82267SulfamideHCID 99280441-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-Isobenzofurancarboxylic acid

Product 1

HCID 2771Citalopram

Sources & evidence

ORD record
ord-2d307b5867ae4f8d8d75879bbf29a6d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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