Toluene → HCID 57710325, compound
Reaction equation
[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Cl:14][C:15](=[O:16])[Cl:17].[Cl:1][c:2]1[c:3]([NH2:4])[c:5]([Cl:13])[c:6]([O:11][CH3:12])[cH:7][c:8]1[O:9][CH3:10].[Cl:25][c:26]1[c:27]([O:28][CH3:29])[cH:30][cH:31][c:32]([Cl:33])[c:34]1[NH:35][C:36]([N:37]([c:38]1[n:39][cH:40][n:41][c:42]([NH:44][c:45]2[cH:46][cH:47][c:48]([N:51]3[CH2:52][CH2:53][N:54]([CH3:57])[CH2:55][CH2:56]3)[cH:49][cH:50]2)[cH:43]1)[CH3:58])=[O:59].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1>>[Cl:1][c:2]1[c:3]([NH:4][C:36]([N:37]([c:38]2[n:39][cH:40][n:41][c:42]([NH:44][c:45]3[cH:46][cH:47][c:48]([N:51]4[CH2:52][CH2:53][N:54]([CH3:57])[CH2:55][CH2:56]4)[cH:49][cH:50]3)[cH:43]2)[CH3:58])=[O:59])[c:5]([Cl:13])[c:6]([O:11][CH3:12])[cH:7][c:8]1[O:9][CH3:10]Participants
6
Sources & evidence
- ORD record
- ord-cd31eaec10fa4a56a4a1504e032f6611
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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