Methanol → HCID 67220210, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13](=[O:14])[OH:15])[CH2:10][CH2:11][CH2:12]1.[CH2:16]([O:17][CH:18]1[CH:19]=[CH:20][c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[N:27]1[C:28]([O:29][CH2:30][CH3:31])=[O:32])[CH3:33].[CH3:86][OH:87].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[NH2:34][c:35]1[n:36][n:37]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[c:38]2[cH:39][c:40](-[c:44]3[cH:45][cH:46][c:47](-[c:50]4[cH:51][n:52][c:53]([CH:55]5[N:56]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:57][CH2:58][CH2:59]5)[nH:54]4)[cH:48][cH:49]3)[cH:41][cH:42][c:43]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13](=[O:15])[NH:34][c:35]2[n:36][n:37]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[c:38]3[cH:39][c:40](-[c:44]4[cH:45][cH:46][c:47](-[c:50]5[cH:51][n:52][c:53]([CH:55]6[N:56]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:57][CH2:58][CH2:59]6)[nH:54]5)[cH:48][cH:49]4)[cH:41][cH:42][c:43]23)[CH2:10][CH2:11][CH2:12]1Participants
7
Sources & evidence
- ORD record
- ord-668fb55cdd6e4e5286492da83f3d0c2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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