Hydrochloric Acid → [2-Oxo-1-phenyl-2-(2-{5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidin-1-yl)-ethyl]-carbamic acid methyl ester

HRID 1115991Notes

Reaction equation

HRID 1115991 reaction equation
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([B:24]4[O:25][C:26]([CH3:31])([CH3:32])[C:27]([CH3:29])([CH3:30])[O:28]4)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1)([CH3:3])([CH3:4])[CH3:5].[CH3:34][O:35][C:36](=[O:37])[NH:38][CH:39]([C:40]([OH:41])=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:84][CH2:85][O:86][C:87]([CH3:88])=[O:89].[Cl:81][CH2:82][Cl:83].[ClH:33].[K+:78].[K+:79].[K+:80].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[P:73]([O-:74])([O-:75])([O-:76])=[O:77].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[C:6](=[O:7])([N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([B:24]4[O:25][C:26]([CH3:31])([CH3:32])[C:27]([CH3:29])([CH3:30])[O:28]4)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1)[CH:39]([NH:38][C:36]([O:35][CH3:34])=[O:37])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 596264N-Methoxycarbonyl-2-phenylglycineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 574497592-{4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]-1h-imidazol-2-yl}pyrrolidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 66620267[2-Oxo-1-phenyl-2-(2-{5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidin-1-yl)-ethyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-0e89f5a5c7644c6f8d8b790a19b5f467
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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