Sodium ion → HCID 66722972, compound

HRID 2313152Notes

Reaction equation

HRID 2313152 reaction equation
[Br:39][c:40]1[cH:41][n:42][n:43]([CH2:45][CH2:46][Cl:47])[cH:44]1.[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18]([B:21]4[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18](-[c:40]4[cH:41][n:42][n:43]([CH2:45][CH2:46][Cl:47])[cH:44]4)[cH:19][c:20]23)[CH2:10][CH2:11]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 518920744-Bromo-1-(2-chloroethyl)-1H-pyrazoleHCID 598289293-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 66722972HCID 66722972, compound

Sources & evidence

ORD record
ord-c0f215732d8c48a59075d7bb036cc766
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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