Methane → HCID 136358491, compound
Reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:51][S:52]([Cl:53])(=[O:54])=[O:55].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH4:61].[N:40]12[CH2:41][CH2:42][CH2:43][N:44]=[C:45]1[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2.[NH2:1][CH2:2][c:3]1[cH:4][s:5][c:6]2[c:11]1[S:10](=[O:12])(=[O:13])[N:9]=[C:8]([c:14]1[c:15](=[O:32])[n:16]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]1[OH:24])[NH:7]2.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[S:56]([Cl:57])([Cl:58])(=[O:59])=[O:60]>>[NH:1]([CH2:2][c:3]1[cH:4][s:5][c:6]2[c:11]1[S:10](=[O:12])(=[O:13])[N:9]=[C:8]([c:14]1[c:15](=[O:32])[n:16]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]1[OH:24])[NH:7]2)[S:52]([CH3:51])(=[O:54])=[O:55]Participants
9
Sources & evidence
- ORD record
- ord-b5aa0c1c827245c5b71aa65a8df78fa5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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