Potassium Cation → benzyl N-[4-[4-[4-[[2-(3-formamido-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]pentyl]phenyl]butyl]carbamate

HRID 286630Notes

Reaction equation

HRID 286630 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[NH2:26])[cH:19][cH:20]1)=[O:27].[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][c:36]1[c:37]([NH:46][CH:47]=[O:48])[cH:38][c:39]([CH:42]([CH2:43][Br:44])[OH:45])[cH:40][cH:41]1.[CH:55]([Cl:56])([Cl:57])[Cl:58].[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[NH:26][CH2:43][CH:42]([c:39]2[cH:38][c:37]([NH:46][CH:47]=[O:48])[c:36]([O:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:41][cH:40]2)[OH:45])[cH:19][cH:20]1)=[O:27]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6212ChloroformHCID 19660Carbonate IonHCID 21880606Benzenesulfonyl chloride, 4-(acetylamino)-3-methyl-HCID 58100158{4-[4-(4-Aminopentyl)phenyl]butyl}carbamic acid benzyl ester

Product 1

HCID 87182026benzyl N-[4-[4-[4-[[2-(3-formamido-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]pentyl]phenyl]butyl]carbamate

Sources & evidence

ORD record
ord-cba9e6c933804ba581298275f31cece4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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