Pyrrole → HCID 21044361, compound
Reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:42][S:43][CH3:44])[CH:21]2[CH:22]([CH:23]1[c:24]1[cH:25][n:26]([C:32]([O:33][CH2:34][CH3:35])=[O:36])[c:27]([C:30]#[N:31])[c:28]1[NH2:29])[O:37][C:38]([CH3:40])([CH3:41])[O:39]2.[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[N:45]12[CH2:46][CH2:47][CH2:48][N:49]=[C:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2.[nH:7]1[cH:8][cH:9][cH:10][cH:11]1>>[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:42][S:43][CH3:44])[CH:21]2[CH:22]([CH:23]1[c:24]1[cH:25][nH:26][c:27]([C:30]#[N:31])[c:28]1[NH2:29])[O:37][C:38]([CH3:40])([CH3:41])[O:39]2Participants
5
Sources & evidence
- ORD record
- ord-684d05fb111e4f2e94f82a2498224431
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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