Toluene → HCID 19024473, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([CH2:21][N:22]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:49]1[CH2:50][c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[NH:57][CH2:58]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([CH2:21][N:22]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:35][CH2:36][CH2:37][CH3:38])[cH:19][cH:20]2)[cH:11][cH:12][cH:13][cH:14]1Participants
5
Sources & evidence
- ORD record
- ord-4c7fd8cf668a4bbcb8d71eadcaf7be23
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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