Water → HCID 67520633, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:56](=[O:57])([O-:58])[O-:59].[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[Cl:35][c:36]1[c:37]2[cH:38][c:39]([O:48][S:49]([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55])[n:40][cH:41][c:42]2[c:43]([F:47])[cH:44][c:45]1[F:46].[Cs+:60].[Cs+:61].[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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:39]4[cH:38][c:37]5[c:36]([Cl:35])[c:45]([F:46])[cH:44][c:43]([F:47])[c:42]5[cH:41][n:40]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
HCID 962Water
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 104967Cesium cation2×
HCID 534879604-[4-[6-Amino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester
HCID 86633145HCID 86633145, compound
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-bdc7c19d5f5c46b99cb4fcaaa66b60cf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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