Sodium ion → HCID 56675648, compound

HRID 194291Notes

Reaction equation

[CH2:28]([CH3:29])[NH:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([O:43][CH3:44])[cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[CH2:57]([OH:58])[CH2:59][CH3:60].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][CH:9]([CH2:10][CH2:11][CH3:12])[c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[n:7]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH:20][C:21]([C:22]([OH:23])([CH3:24])[CH3:25])([CH3:26])[CH3:27].[c:61]1([CH3:62])[cH:63][cH:64][cH:65][cH:66][cH:67]1.[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:37]2[cH:36][c:35]([O:43][CH3:44])[c:34]([NH:33][C:31]([NH:30][CH2:28][CH3:29])=[O:32])[cH:39][cH:38]2)[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][CH:9]([CH2:10][CH2:11][CH3:12])[c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

Reactant 9

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 66838364HCID 66838364, compound

HCID 72558914HCID 72558914, compound

HCID 178420554HCID 178420554, compound

Product 1

HCID 56675648HCID 56675648, compound

Sources & evidence

ORD record: ord-8b40ccf77e254cd2bba73240d39ef4b7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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