Bicarbonate Ion → HCID 23438055, compound

HRID 695107Notes

Reaction equation

HRID 695107 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[cH:16][c:17]([Cl:28])[c:18]([S:21][c:22]4[n:23]([CH3:27])[cH:24][cH:25][n:26]4)[cH:19][cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[C:56](=[O:57])([OH:58])[O-:59].[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][c:39]([CH2:42][N:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[s:40][cH:41]2)[O:49]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:2]1(-[c:37]2[cH:38][c:39]([CH2:42][N:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[s:40][cH:41]2)[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[cH:16][c:17]([Cl:28])[c:18]([S:21][c:22]4[n:23]([CH3:27])[cH:24][cH:25][n:26]4)[cH:19][cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 234379437-bromo-4-{3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]anilino}-3-quinolinecarbonitrileHCID 234383114-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl}morpholineHCID 178420554HCID 178420554, compound

Product 1

HCID 23438055HCID 23438055, compound

Sources & evidence

ORD record
ord-61003389413940859ef6c1f493aa4c72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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