Phenol → HCID 68574323, compound
Reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([CH2:17][OH:18])[cH:13][c:14]3[cH:15][cH:16]2)[cH:19][cH:20][cH:21][cH:22]1.[O:49]=[C:50]([O:51][CH:52]([CH3:53])[CH3:54])[N:55]=[N:56][C:57]([O:58][CH:59]([CH3:60])[CH3:61])=[O:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([CH2:17][O:18][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:13][c:14]3[cH:15][cH:16]2)[cH:19][cH:20][cH:21][cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-39cbaa53e3064fbb98d66a8f5ea916c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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