Ethanol → HCID 59375086, compound

HRID 1553008Notes

Reaction equation

HRID 1553008 reaction equation
[Br:30][c:31]1[c:32]([CH3:49])[c:33]([NH:37][c:38]2[n:39][cH:40][n:41][c:42]3[c:43]([F:48])[cH:44][cH:45][cH:46][c:47]23)[cH:34][cH:35][cH:36]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][OH:65].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]3[c:10]([B:21]4[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]4)[cH:11][cH:12][c:13]([C:18](=[O:19])[NH2:20])[c:14]3[nH:15][c:16]2[cH:17]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]3[c:10](-[c:31]4[c:32]([CH3:49])[c:33]([NH:37][c:38]5[n:39][cH:40][n:41][c:42]6[c:43]([F:48])[cH:44][cH:45][cH:46][c:47]56)[cH:34][cH:35][cH:36]4)[cH:11][cH:12][c:13]([C:18](=[O:19])[NH2:20])[c:14]3[nH:15][c:16]2[cH:17]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 66606234HCID 66606234, compoundHCID 66606464HCID 66606464, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 59375086HCID 59375086, compound

Sources & evidence

ORD record
ord-1d2c682ada8a43e3b1f9fe0b536e5d72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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