Ethanol → HCID 18367560, compound

HRID 2158277Notes

Reaction equation

HRID 2158277 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[NH:33][CH3:34])[cH:28][cH:29]1.[CH3:35][CH2:36][OH:37].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[NH:33][CH3:34])[cH:28][cH:29]2)[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1

Participants

5

Reactant 4

HCID 702EthanolHCID 152311N-(4-Bromophenyl)-N'-methylcarbamimidato(3-)HCID 18367522[4-(3-Hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 18367560HCID 18367560, compound

Sources & evidence

ORD record
ord-15151b068a85490da020d637a6268daa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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