Chloride → HCID 74020249, compound
Reaction equation
[C:57]([CH3:58])(=[S:59])[OH:60].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][n:9]1[n:10][n:11][cH:12][c:13]1[CH:14]=[C:15]1[CH2:16][N:17]([C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:18][CH2:19][CH:20]1[OH:21].[CH2:41]([O:42][CH:43]([O:44][CH2:45][C:46]([CH3:47])([CH3:48])[CH3:49])[N:50]([CH3:51])[CH3:52])[C:53]([CH3:54])([CH3:55])[CH3:56].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl-:62].[Na+:61]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][n:9]1[n:10][n:11][cH:12][c:13]1[CH:14]=[C:15]1[CH2:16][N:17]([C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:18][CH2:19][CH:20]1[S:59][C:57]([CH3:58])=[O:60]Participants
7
Sources & evidence
- ORD record
- ord-f0628b7256f94e35ac80a5c6d625fb06
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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