Ethanol → HCID 178517122, compound
Reaction equation
[Br:7][c:8]1[cH:9][cH:10][c:11]([CH2:12][N:13]2[CH2:14][CH:15]([OH:29])[CH2:16][C:17]23[C:18](=[O:28])[N:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:20][CH2:21]3)[cH:30][cH:31]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:51].[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.[n:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[c:8]1(-[c:35]2[cH:34][cH:33][n:32][cH:37][cH:36]2)[cH:9][cH:10][c:11]([CH2:12][N:13]2[CH2:14][CH:15]([OH:29])[CH2:16][C:17]23[C:18](=[O:28])[N:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:20][CH2:21]3)[cH:30][cH:31]1Participants
9
Sources & evidence
- ORD record
- ord-a8e756cfc8ff44c1ab8a360b5f811eda
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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