Toluene → HCID 67327064, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][C:29](=[O:30])[O:31][CH2:32][C:33]23[CH2:34][CH:35]4[CH2:36][CH:37]([CH2:38][CH:39]([CH2:40]2)[CH2:41]4)[CH2:42]3)[C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:64][CH2:65][Cl:66].[OH:50][C:51]([C:52]([F:53])([F:54])[F:55])=[O:56]>>[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][C:29](=[O:30])[O:31][CH2:32][C:33]23[CH2:34][CH:35]4[CH2:36][CH:37]([CH2:38][CH:39]([CH2:40]2)[CH2:41]4)[CH2:42]3)[C:43](=[O:44])[OH:45])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-4d24d1aa2eac4a058d738a852793c8ec
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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