Ethanol → HCID 21313327, compound
Reaction equation
[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][NH2:8])[cH:9][cH:10]1)([CH3:11])([CH3:12])[CH3:13].[C:66]([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)(=[O:73])[Cl:74].[CH3:75][CH2:76][OH:77].[CH:14]1([CH2:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][C:25](=[O:26])[CH3:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[CH:33]1([CH2:39][CH:40]2[N:41]([CH2:46][CH2:47][c:48]3[c:49]([CH3:62])[nH:50][c:51]4[cH:52][cH:53][c:54]([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[cH:55][c:56]34)[CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[H-:63].[Na+:64].[Na:65].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82]>>[CH:33]1([CH2:39][CH:40]2[N:41]([CH2:46][CH2:47][c:48]3[c:49]([CH3:62])[n:50]([C:66]([c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)=[O:73])[c:51]4[cH:52][cH:53][c:54]([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[cH:55][c:56]34)[CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1Participants
10
Sources & evidence
- ORD record
- ord-b165ec39e1f24bab9abe34ffc623e78d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…