Water → HCID 87130981, compound
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:42][c:43]1[cH:44][cH:45][c:46]([S:47]([O:48][CH2:53][CH2:54][CH2:55][CH2:56][c:57]2[c:58]([F:67])[c:59]([F:66])[c:60]([F:65])[c:61]([F:64])[c:62]2[F:63])(=[O:49])=[O:50])[cH:51][cH:52]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cs+:5].[Cs+:6].[OH2:73].[OH:7][c:8]1[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[c:21]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([CH3:33])[n:23]([CH2:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:24]23)[cH:12][cH:13]1>>[O:7]([c:8]1[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[c:21]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([CH3:33])[n:23]([CH2:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:24]23)[cH:12][cH:13]1)[CH2:53][CH2:54][CH2:55][CH2:56][c:57]1[c:58]([F:67])[c:59]([F:66])[c:60]([F:65])[c:61]([F:64])[c:62]1[F:63]Participants
7
Sources & evidence
- ORD record
- ord-f7417fd9aae14f8d9b4f82a7d7009ca6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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