Isopropanol → HCID 178463177, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:21]2[c:22]3[n:23][c:24]([Cl:45])[n:25][c:26]([NH:30][CH:31]4[CH2:32][CH2:33][CH:34]([NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:35][CH2:36]4)[c:27]3[n:28][cH:29]2)[O:7][CH:8]([c:14]2[n:15][n:16][n:17]([CH2:19][CH3:20])[n:18]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[CH3:73][CH:74]([OH:75])[CH3:76].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:46][CH2:47][Cl:48].[Cl:65][c:66]1[n:67][cH:68][cH:69][c:70]([Cl:72])[n:71]1.[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:21]2[c:22]3[n:23][c:24]([Cl:45])[n:25][c:26]([NH:30][CH:31]4[CH2:32][CH2:33][CH:34]([NH:37][c:70]5[cH:69][cH:68][n:67][c:66]([Cl:65])[n:71]5)[CH2:35][CH2:36]4)[c:27]3[n:28][cH:29]2)[O:7][CH:8]([c:14]2[n:15][n:16][n:17]([CH2:19][CH3:20])[n:18]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13]Participants
7
Sources & evidence
- ORD record
- ord-3b6d5a9fdf30445dbd3deafae36419ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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