Benzene → HCID 21832154, compound
Reaction equation
[C:66]([CH3:67])([CH3:68])([CH3:69])[O:70][C:71](=[O:72])[NH:73][CH:74]([CH2:75][OH:76])[CH3:77].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[OH:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][CH:38]2[C:39](=[O:63])[N:40]([C:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[C:41](=[O:43])[S:42]2)[cH:64][cH:65]1.[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1.[cH:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[O:32]([c:33]1[cH:34][cH:35][c:36]([CH2:37][CH:38]2[C:39](=[O:63])[N:40]([C:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[C:41](=[O:43])[S:42]2)[cH:64][cH:65]1)[CH2:75][CH:74]([NH:73][C:71]([O:70][C:66]([CH3:67])([CH3:68])[CH3:69])=[O:72])[CH3:77]Participants
6
Sources & evidence
- ORD record
- ord-88eb6d71201046819954f1e8a18fe332
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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