Bicarbonate Ion → HCID 53629073, compound

HRID 2129182Notes

Reaction equation

HRID 2129182 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[Cs+:53].[Cs+:54].[F:23][c:24]1[c:25]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:26][cH:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[n:32][c:33]12.[I:1][c:2]1[n:3][c:4]([CH:12]2[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[CH2:15]2)[n:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2.[N:55]#[N:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[OH2:68].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([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)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[c:2]1(-[c:25]2[c:24]([F:23])[c:33]3[c:28]([cH:27][cH:26]2)[cH:29][cH:30][c:31](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:32]3)[n:3][c:4]([CH:12]2[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[CH2:15]2)[n:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 947NitrogenHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 536290468-Fluoro-2-phenyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)quinolineHCID 576810251-Iodo-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamineHCID 178420554HCID 178420554, compound

Product 1

HCID 53629073HCID 53629073, compound

Sources & evidence

ORD record
ord-2dee8008ab3e47b6815432972f5cdfb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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