Ethanol → HCID 15949563, compound
Reaction equation
[CH3:125][CH2:126][OH:127].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[F:32][c:33]1[n:34][cH:35][cH:36][cH:37][c:38]1[B:39]([OH:40])[OH:41].[NH2:8][C:9]1=[N:13][C:12]([c:14]2[cH:15][c:16]([Br:20])[cH:17][cH:18][cH:19]2)([c:21]2[cH:22][c:23]([CH:28]=[O:29])[n:24]([CH2:26][CH3:27])[cH:25]2)[C:11](=[O:30])[N:10]1[CH3:31].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[Pd:48].[c:106]1([P: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)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P: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)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P: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)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[NH2:8][C:9]1=[N:13][C:12]([c:14]2[cH:15][c:16](-[c:38]3[c:33]([F:32])[n:34][cH:35][cH:36][cH:37]3)[cH:17][cH:18][cH:19]2)([c:21]2[cH:22][c:23]([CH:28]=[O:29])[n:24]([CH2:26][CH3:27])[cH:25]2)[C:11](=[O:30])[N:10]1[CH3:31]Participants
9
Sources & evidence
- ORD record
- ord-36a154eec86f4e2c9bca58312b1da184
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…