1-Propanol → HCID 67487065, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[c:28]2[n:29][c:30]3[c:31]([n:32]2[CH3:33])[cH:34][cH:35][c:36]([OH:38])[cH:37]3)[CH2:9][CH2:10]1.[CH2:39]([CH2:40][CH3:41])[OH:42].[Cl:76][CH2:77][Cl:78].[O:43]=[C:44]([O:45][CH:46]([CH3:47])[CH3:48])[N:49]=[N:50][C:51]([O:52][CH:53]([CH3:54])[CH3:55])=[O:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[c:28]2[n:29][c:30]3[c:31]([n:32]2[CH3:33])[cH:34][cH:35][c:36]([O:38][CH2:39][CH2:40][CH3:41])[cH:37]3)[CH2:9][CH2:10]1Participants
6
Sources & evidence
- ORD record
- ord-0dfa3cb96cc84c04ad998b2f6b23f091
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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