Benzene → HCID 22054358, compound
Reaction equation
[CH3:28][O:29][c:30]1[c:31]([CH3:58])[c:32]([CH2:33][c:34]2[cH:35][cH:36][c:37]([OH:48])[c:38]([C:39](=[O:40])[N:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[cH:47]2)[c:49]([O:56][CH3:57])[c:50]([O:54][CH3:55])[c:51]1[O:52][CH3:53].[Na+:60].[OH-:59].[c:9]1([P:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1.[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[n:1]1[cH:2][cH:3][c:4]([CH2:7][OH:8])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][O:8][c:37]2[cH:36][cH:35][c:34]([CH2:33][c:32]3[c:31]([CH3:58])[c:30]([O:29][CH3:28])[c:51]([O:52][CH3:53])[c:50]([O:54][CH3:55])[c:49]3[O:56][CH3:57])[cH:47][c:38]2[C:39](=[O:40])[N:41]2[CH2:42][CH2:43][O:44][CH2:45][CH2:46]2)[cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-fd5a1f50428b45ffbf4708d8934e8f7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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