Methanol → HCID 178514267, compound
Reaction equation
[CH2:1]([Cl:2])[Cl:3].[CH3:75][OH:76].[CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)=[N:11][N:12]1[C:13](=[O:48])[N:14]([C:17]2([C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[CH2:18][N:19]3[C:20](=[O:34])[CH:21]([NH:24][C:25]([CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)=[O:33])[CH:22]3[S:23]2)[CH2:15][CH2:16]1.[N+:49]([c:50]1[cH:51][c:52]([N+:53]([O-:54])=[O:55])[cH:56][cH:57][c:58]1[NH:59][NH2:60])([O-:61])=[O:62].[OH2:63].[c:64]1([CH3:65])[cH:66][cH:67][c:68]([S:69]([OH:70])(=[O:71])=[O:72])[cH:73][cH:74]1>>[NH2:11][N:12]1[C:13](=[O:48])[N:14]([C:17]2([C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[CH2:18][N:19]3[C:20](=[O:34])[CH:21]([NH:24][C:25]([CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)=[O:33])[CH:22]3[S:23]2)[CH2:15][CH2:16]1Participants
7
Sources & evidence
- ORD record
- ord-85e3ce471b784e08ad12db918d30c1ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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