Dimethyl Sulfoxide → HCID 178464997, compound
Reaction equation
[CH3:57][S:58]([CH3:59])=[O:60].[Cl:1][c:2]1[n:3][c:4]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([C:18](=[O:19])[NH:20][CH2:21][CH3:22])[O:17]3)[c:9]2[n:10]1.[N:46]12[CH2:47][CH2:48][CH2:49][N:50]=[C:51]1[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2.[NH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[OH:45]>>[c:2]1([NH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[OH:45])[n:3][c:4]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([C:18](=[O:19])[NH:20][CH2:21][CH3:22])[O:17]3)[c:9]2[n:10]1Participants
5
Sources & evidence
- ORD record
- ord-b8444e3400e84cdfb249cc8dcd1faaf8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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