Toluene → HCID 57949722, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1)[CH2:5]2.[CH3:24][N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH3:90][CH2:91][CH2:92][CH2:93][CH2:94][CH3:95].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1)[CH2:5]2Participants
7
Sources & evidence
- ORD record
- ord-aac65e87e998486aacc564dcb3d109a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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