Methanol → HCID 20695532, compound
Reaction equation
[CH2:78]([Cl:79])[Cl:80].[CH3:69][OH:70].[CH:59]([SiH:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[c:3]([N:22]=[C:23]2[S:24][CH:25]([CH2:35][C:36]([NH:37][O:38][C:39]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)=[O:58])[C:26](=[O:34])[N:27]2[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[OH:71][C:72]([C:73]([F:74])([F:75])[F:76])=[O:77]>>[Cl:1][c:2]1[c:3]([N:22]=[C:23]2[S:24][CH:25]([CH2:35][C:36]([NH:37][OH:38])=[O:58])[C:26](=[O:34])[N:27]2[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-18f641736e0949b89aae30bc7cb1a17d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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