Chloride → {4-[8-(2-Chloro-benzenesulfonyl)-1-oxo-2,8-diaza-spiro[4.5]dec-2-yl]-phenyl}-acetic acid ethyl ester

HRID 671025Notes

Reaction equation

HRID 671025 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[C:15]2([CH2:31][CH2:32][O:33][CH3:34])[CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[c:24]3[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]3)[CH2:19][CH2:20]2)[cH:10][cH:11]1)=[O:35].[CH3:37][Al+:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Cl-:36]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([N:12]2[C:13](=[O:14])[C:15]3([CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[c:24]4[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]4)[CH2:19][CH2:20]3)[CH2:31][CH2:32]2)[cH:10][cH:11]1)=[O:35]

Participants

6

Reactant 5

HCID 312ChlorideHCID 1140TolueneHCID 8900HeptaneHCID 16685399DimethylalumanyliumHCID 59578103(4-{[1-(2-Chloro-benzenesulfonyl)-4-(2-methoxy-ethyl)-piperidine-4-carbonyl]-amino}-phenyl)-acetic acid ethyl ester

Product 1

HCID 59578003{4-[8-(2-Chloro-benzenesulfonyl)-1-oxo-2,8-diaza-spiro[4.5]dec-2-yl]-phenyl}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-f1bc453c80f0412785ba4155b956afa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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