Sodium ion → HCID 22018326, compound

HRID 1132003Notes

Reaction equation

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

Participants

Reactant 8

HCID 923Sodium ion

HCID 1140Toluene

HCID 8857Ethyl Acetate

HCID 23938Palladium2×

HCID 95417Dibenzylidene acetone3×

HCID 136809Benzophenone imine

HCID 45749132-Methylpropan-2-olate

HCID 22018349HCID 22018349, compound

Product 1

HCID 22018326HCID 22018326, compound

Sources & evidence

ORD record: ord-64cbfb6716a14e91acddf32af37f99f6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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