Bicarbonate Ion → 2-chloro-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide

HRID 135542Notes

Reaction equation

HRID 135542 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][C:51]#[N:52].[Cl:27][CH2:28][C:29](=[O:30])[Cl:31].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH2:24])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1.[Na+:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH:24][C:29]([CH2:28][Cl:27])=[O:30])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 6577Chloroacetyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 22038390HCID 22038390, compound

Product 1

HCID 220382032-chloro-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide

Sources & evidence

ORD record
ord-b2fd61822ec3457dafc89111d109c41a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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