Water → HCID 68733231, compound
Reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[c:13]([F:24])[cH:14][c:15]([I:23])[c:16]([O:18][CH2:19][CH:20]3[CH2:21][CH2:22]3)[cH:17]2)=[O:25])[CH2:2][CH2:3]1.[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1)([F:37])[F:38].[OH2:39].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[c:13]([F:24])[cH:14][c:15](-[c:31]3[cH:30][cH:29][c:28]([C:27]([F:26])([F:37])[F:38])[cH:33][cH:32]3)[c:16]([O:18][CH2:19][CH:20]3[CH2:21][CH2:22]3)[cH:17]2)=[O:25])[CH2:2][CH2:3]1Participants
7
Sources & evidence
- ORD record
- ord-91d2ef2c6cea4c5aa91a6d3afc82b675
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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