Potassium Cation → 1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine
Reaction equation
[C:33]([O:34][C:35]([C:36](=[O:37])[c:38]1[cH:39][cH:40][c:41]([O:42][CH3:43])[cH:44][cH:45]1)([CH:46]([C:47]([OH:48])=[O:49])[OH:50])[C:51]([OH:52])=[O:53])(=[O:54])[c:55]1[cH:56][cH:57][c:58]([O:59][CH3:60])[cH:61][cH:62]1.[CH2:78]([CH3:79])[O:80][CH2:81][CH2:82][n:83]1[c:84]([N:92]2[CH2:93][CH2:94][NH:95][CH2:96][CH2:97][CH2:98]2)[n:85][c:86]2[c:87]1[cH:88][cH:89][cH:90][cH:91]2.[CH3:101][CH2:102][N:103]([CH2:104][CH3:105])[CH2:106][CH3:107].[CH3:108][C:109]#[N:110].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30].[I-:100].[IH:77].[K+:99].[c:63]1([C:64]2([CH2:65][CH2:66][OH:67])[CH2:68][CH2:69][NH:70][CH2:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:95]3[CH2:94][CH2:93][N:92]([c:84]4[n:83]([CH2:82][CH2:81][O:80][CH2:78][CH3:79])[c:87]5[c:86]([n:85]4)[cH:91][cH:90][cH:89][cH:88]5)[CH2:98][CH2:97][CH2:96]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30]Participants
10
Reactant 9
HCID 813Potassium Cation
HCID 6342Acetonitrile
HCID 8471Triethylamine
HCID 24841Hydrogen iodide
HCID 30165Iodide Ion
HCID 9984168Emedastine EP Impurity E
HCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanol
HCID 184646303,4,5-Trimethoxybenzoyl-3-phenyl-3-(2-methanesulfonyloxyethyl)pyrrolidine
HCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acidProduct 1
Sources & evidence
- ORD record
- ord-523437ae37ce43b3a5bdc891f1059255
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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