Toluene → HCID 59364059, compound
Reaction equation
[CH2:15]([CH2:16][CH3:17])[N:18]([c:19]1[s:20][cH:21][c:22](-[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[n:23]1)[CH2:34][c:35]1[cH:36][cH:37][c:38]([CH2:41][OH:42])[cH:39][cH:40]1.[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:81][CH2:82][CH2:83][CH2:84][CH2:85][CH3:86].[N:56]([C:57]([N:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1)=[O:64])=[N:65][C:66]([N:67]1[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1)=[O:73].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1)[CH2:41][c:38]1[cH:37][cH:36][c:35]([CH2:34][N:18]([CH2:15][CH2:16][CH3:17])[c:19]2[s:20][cH:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[n:23]2)[cH:40][cH:39]1Participants
7
Sources & evidence
- ORD record
- ord-8352903bbb3f41d29d987a714efc67a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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