Aniline → HCID 136331862, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([CH2:37][C:38](=[O:39])[OH:40])[n:21][c:22]4[n:23]3-[c:24]3[c:25]([n:33][cH:34][cH:35][cH:36]3)[NH:26][c:27]3[c:28]-4[cH:29][cH:30][cH:31][cH:32]3)[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1.[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:68][CH2:69][Cl:70].[NH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([CH2:37][C:38](=[O:40])[NH:41][c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[n:21][c:22]4[n:23]3-[c:24]3[c:25]([n:33][cH:34][cH:35][cH:36]3)[NH:26][c:27]3[c:28]-4[cH:29][cH:30][cH:31][cH:32]3)[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-88a0ff3a26bf420685976cac6d7762ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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