Toluene → HCID 86592549, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[N:14][c:15]1[cH:16][c:17]([CH2:18][N:19]2[C:20](=[O:29])[CH2:21][CH:22]([CH2:25][C:26](=[O:27])[OH:28])[CH2:23][CH2:24]2)[cH:30][cH:31][c:32]1[C:33]#[N:34].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH2:70]([Cl:71])[Cl:72].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:42][C:43]([O:44][CH:45]([CH3:46])[CH3:47])=[O:48].[Cl:56][c:57]1[cH:58][c:59]([NH2:64])[c:60]([NH2:63])[cH:61][cH:62]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[N:14][c:15]1[cH:16][c:17]([CH2:18][N:19]2[C:20](=[O:29])[CH2:21][CH:22]([CH2:25][C:26](=[O:27])[NH:64][c:59]3[cH:58][c:57]([Cl:56])[cH:62][cH:61][c:60]3[NH2:63])[CH2:23][CH2:24]2)[cH:30][cH:31][c:32]1[C:33]#[N:34]Participants
8
Sources & evidence
- ORD record
- ord-c0eb0830e11c4b5b8a0bf0d8ebc6b6e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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