Water → HCID 46917569, compound
Reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][S:43]([Cl:44])(=[O:45])=[O:46].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:11][c:12]([N:14]([CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[CH3:21])[n:13]1)[cH:28][cH:29][cH:30][c:31]2[O:32][CH3:33])[F:34].[OH2:52]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:11][c:12]([N:14]([CH:15]3[CH2:16][CH2:17][N:18]([S:43]([CH3:42])(=[O:45])=[O:46])[CH2:19][CH2:20]3)[CH3:21])[n:13]1)[cH:28][cH:29][cH:30][c:31]2[O:32][CH3:33])[F:34]Participants
6
Sources & evidence
- ORD record
- ord-7f0ffa9ad6b04cbfaee09dfc4978dc32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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