Ethylene Glycol → HCID 18001580, compound
Reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[Cl:16][c:17]1[c:18]2[n:19][c:20]([CH2:33][CH3:34])[n:21]([CH:26]([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH3:32])[c:22]2[n:23][cH:24][n:25]1.[Cl:1][c:2]1[c:3]([B:9]([OH:10])[OH:11])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[OH2:123].[OH:12][CH2:13][CH2:14][OH:15].[Tl+2:39].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[Cl:1][c:2]1[c:3](-[c:17]2[c:18]3[n:19][c:20]([CH2:33][CH3:34])[n:21]([CH:26]([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH3:32])[c:22]3[n:23][cH:24][n:25]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-f5ca6ec3f6684c79ace4bdec4993018e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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