Water → HCID 59416070, compound
Reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH2:23]([CH3:24])[NH:25][C:26](=[O:27])[NH:28][c:29]1[n:30][cH:31][c:32]([B:44]2[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]2)[c:33](-[c:35]2[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]2)[cH:34]1.[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[Cs+:57].[Cs+:58].[OH2:65].[OH:1][CH2:2][CH:3]([CH2:4][CH3:5])[n:6]1[cH:7][c:8]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:9](=[O:17])[c:10]2[cH:11][c:12]([I:16])[cH:13][cH:14][c:15]12.[c:66]1([PH:67]([Pd-4:68]([PH:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([PH:88]([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)[PH:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([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)[cH:138][cH:139][cH:140][cH:141][cH:142]1>>[OH:1][CH2:2][CH:3]([CH2:4][CH3:5])[n:6]1[cH:7][c:8]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:9](=[O:17])[c:10]2[cH:11][c:12](-[c:32]3[cH:31][n:30][c:29]([NH:28][C:26]([NH:25][CH2:23][CH3:24])=[O:27])[cH:34][c:33]3-[c:35]3[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]3)[cH:13][cH:14][c:15]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8cf0f0e1ce52409188a1b7d0ec5f0fd1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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