Tetrahydrofuran → HCID 54200375, compound
Reaction equation
[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[O:70]=[C:71]([O:72][CH2:73][CH3:74])[N:75]=[N:76][C:77]([O:78][CH2:79][CH3:80])=[O:81].[OH:58][c:59]1[c:60]([C:61](=[O:62])[O:63][CH3:64])[cH:65][cH:66][c:67]([OH:69])[cH:68]1.[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19]([Br:37])[c:20]([O:33][CH2:34][CH2:35][OH:36])[c:21](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[cH:22]2)=[O:38])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19]([Br:37])[c:20]([O:33][CH2:34][CH2:35][O:36][c:67]3[cH:66][cH:65][c:60]([C:61](=[O:62])[O:63][CH3:64])[c:59]([OH:58])[cH:68]3)[c:21](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[cH:22]2)=[O:38])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-6189621878ba43cd9afb10a3442f3195
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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