Water → HCID 19754686, compound
Reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH2:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:15]12[CH:16]([c:22]3[c:23]([NH:28][C:29](=[O:30])[c:31]4[c:32]([CH:37]([F:38])[F:39])[n:33][n:34]([CH3:36])[cH:35]4)[cH:24][cH:25][cH:26][cH:27]3)[CH2:17][CH:18]([CH2:19][CH2:20]1)[CH2:21]2.[OH2:40].[P:1]12(=[S:2])[S:3][P:4]3(=[S:14])[S:5][P:6](=[S:12])([S:7][P:8](=[S:11])([S:9]3)[S:10]1)[S:13]2>>[S:2]=[C:29]([NH:28][c:23]1[c:22]([CH:16]2[CH:15]3[CH2:20][CH2:19][CH:18]([CH2:17]2)[CH2:21]3)[cH:27][cH:26][cH:25][cH:24]1)[c:31]1[c:32]([CH:37]([F:38])[F:39])[n:33][n:34]([CH3:36])[cH:35]1Participants
7
Sources & evidence
- ORD record
- ord-89ff691e586849b6b42ccf36e0c28006
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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