2-Isopropyl-4,9-dihydro-3-thia-1,4,9-triazabenzo[f]azulene-10-thione → HCID 178494896, compound
Reaction equation
[CH3:19][O:20][CH:21]([CH2:22][CH:23]1[NH:24][CH2:25][CH2:26][NH:27][CH2:28]1)[CH3:29].[CH3:30][O:31][CH:32]([CH3:33])[CH2:34][CH:35]1[CH2:36][NH:37][CH2:38][CH2:39][NH:40]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:12]([s:13]1)[NH:11][c:10]1[c:9]([cH:17][cH:16][cH:15][cH:14]1)[NH:8][C:7]2=[S:18]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:12]([s:13]1)[NH:11][c:10]1[c:9]([cH:17][cH:16][cH:15][cH:14]1)[N:8]=[C:7]2[N:27]1[CH2:26][CH2:25][NH:24][CH:23]([CH2:22][CH:21]([O:20][CH3:19])[CH3:29])[CH2:28]1Participants
3
Sources & evidence
- ORD record
- ord-a46afaa147e44008b755f5b7727e9d0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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