Toluene → HCID 77436132, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])=[CH:18][c:19]1[n:20][cH:21][n:22]([CH:24]2[CH2:25][CH2:26][CH:27]([OH:30])[CH2:28][CH2:29]2)[cH:23]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:57]=[C:58]([O:59][CH:60]([CH3:61])[CH3:62])[N:63]=[N:64][C:65]([O:66][CH:67]([CH3:68])[CH3:69])=[O:70].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH:50][c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])=[CH:18][c:19]1[n:20][cH:21][n:22]([CH:24]2[CH2:25][CH2:26][CH:27]([O:30][c:51]3[cH:52][cH:53][n:54][cH:55][cH:56]3)[CH2:28][CH2:29]2)[cH:23]1Participants
7
Sources & evidence
- ORD record
- ord-58a4b21a54724005bad82bf678e44316
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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