Methanol → HCID 136387275, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][O:8][C:9]([CH3:10])=[O:11])[O:12][CH2:13][n:14]1[c:15]2[n:16][c:17]([NH2:24])[nH:18][c:19](=[O:23])[c:20]2[n:21][cH:22]1.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[Cl:46])[cH:31][cH:32]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][OH:55].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][CH2:72][CH2:73][CH2:74][CH3:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][O:8][C:9]([CH3:10])=[O:11])[O:12][CH2:13][n:14]1[c:15]2[n:16][c:17]([NH:24][C:33]([c:30]3[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]3)([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[nH:18][c:19](=[O:23])[c:20]2[n:21][cH:22]1Participants
9
Sources & evidence
- ORD record
- ord-60f86ac3ee6945eea551a9085ed5b2c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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