Ethanol → HCID 21890740, compound
Reaction equation
[CH3:69][CH2:70][OH:71].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[Cl:46][c:47]1[cH:48][c:49]([NH2:50])[cH:51][cH:52][c:53]1[O:54][c:55]1[cH:56][cH:57][n:58][c:59]2[cH:60][c:61]([O:67][CH3:68])[c:62]([O:65][CH3:66])[cH:63][c:64]12.[O:18]([CH:19]([CH2:20][CH3:21])[C:22]([Cl:23])=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[O:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH:38]([C:39](=[O:40])[N:41]=[C:42]=[S:43])[CH2:44][CH3:45].[O:5]([CH:6]([CH2:7][CH3:8])[C:9]([OH:10])=[O:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[O:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH:38]([C:39](=[O:40])[NH:41][C:42](=[S:43])[NH:50][c:49]1[cH:48][c:47]([Cl:46])[c:53]([O:54][c:55]2[cH:56][cH:57][n:58][c:59]3[cH:60][c:61]([O:67][CH3:68])[c:62]([O:65][CH3:66])[cH:63][c:64]23)[cH:52][cH:51]1)[CH2:44][CH3:45]Participants
8
Sources & evidence
- ORD record
- ord-b219324885634a0986a2760d64fb5d3f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…