Sodium ion → tert-butyl N-[1-[[4-[5-[2-chloro-3-(propylsulfonylamino)phenyl]-2-cyclopropyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate

HRID 1138165Notes

Reaction equation

HRID 1138165 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH:33]2[CH2:34][CH2:35]2)[n:5]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[n:10][cH:11][cH:12]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Cl:36][c:37]1[c:38]([NH:52][S:53](=[O:54])(=[O:55])[CH2:56][CH2:57][CH3:58])[cH:39][cH:40][cH:41][c:42]1[B:43]1[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]1.[Na+:63].[Na+:64].[OH2:71]>>[c:2]1(-[c:42]2[c:37]([Cl:36])[c:38]([NH:52][S:53](=[O:54])(=[O:55])[CH2:56][CH2:57][CH3:58])[cH:39][cH:40][cH:41]2)[n:3][c:4]([CH:33]2[CH2:34][CH2:35]2)[n:5]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[n:10][cH:11][cH:12]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 58164515N-(2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propane-1-sulfonamideHCID 69811028tert-butyl N-[1-[[4-[5-bromo-2-cyclopropyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate

Product 1

HCID 69811402tert-butyl N-[1-[[4-[5-[2-chloro-3-(propylsulfonylamino)phenyl]-2-cyclopropyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate

Sources & evidence

ORD record
ord-4ab548f91c5940e78649f2bf5f569298
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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