Chloride → HCID 59762332, compound
Reaction equation
[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][OH:65].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl-:55].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([C:26]([NH:27][CH2:28][c:29]3[cH:30][c:31]([F:36])[c:32]([F:35])[cH:33][cH:34]3)=[O:37])[c:12]([CH:23]([CH3:24])[CH3:25])[n:13]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:14]2[cH:15]1)(=[O:38])=[O:39].[K+:49].[K+:50].[Li+:56].[O-:51][C:52]([O-:53])=[O:54].[OH2:149].[cH:72]1[cH:73][cH:74][c:75]([P:76]([Pd:77]([P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([P:97]([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)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[P:116]([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)[c:141]2[cH:142][cH:143][cH:144][cH:145][cH:146]2)[cH:147][cH:148]1.[n:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1>>[c:7]1(-[c:43]2[cH:42][cH:41][n:40][cH:45][cH:44]2)[cH:8][cH:9][c:10]2[c:11]([C:26]([NH:27][CH2:28][c:29]3[cH:30][c:31]([F:36])[c:32]([F:35])[cH:33][cH:34]3)=[O:37])[c:12]([CH:23]([CH3:24])[CH3:25])[n:13]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:14]2[cH:15]1Participants
12
Reactant 11
HCID 312Chloride
HCID 813Potassium Cation2×
HCID 887Methanol
HCID 962Water
HCID 1140Toluene
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 28486Lithium ion
HCID 2734379(Pyridin-4-yl)boronic acid
HCID 597623021-Benzyl-3-(3,4-difluorobenzylcarbamoyl)-2-isopropyl-1H-indol-6-yl trifluoromethanesulfonate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-eea8e14e72694971b6d04b57a26cb782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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