Ethanol → HCID 72344387, compound
Reaction equation
[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[CH3:54][CH2:55][OH:56].[I:1][c:2]1[cH:3][c:4](=[O:9])[n:5]([CH3:8])[cH:6][cH:7]1.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[OH:10][C:11]([CH2:12][CH2:13][C:14]1([CH:38]([CH3:39])[CH3:40])[CH2:15][CH2:16][N:17]([CH:21]([CH3:22])[c:23]2[cH:24][cH:25][c:26]([B:29]3[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]3)[cH:27][cH:28]2)[C:18](=[O:20])[O:19]1)([CH3:41])[CH3:42].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([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)[cH:132][cH:133]1>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([CH:21]([N:17]3[CH2:16][CH2:15][C:14]([CH2:13][CH2:12][C:11]([OH:10])([CH3:41])[CH3:42])([CH:38]([CH3:39])[CH3:40])[O:19][C:18]3=[O:20])[CH3:22])[cH:28][cH:27]2)[cH:3][c:4](=[O:9])[n:5]([CH3:8])[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-5ac0fbba2f7d4bd297c23993b15dfe09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…