4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine → HCID 14851887, compound
Reaction equation
[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([I:18])[s:17]3)[cH:4][cH:5][cH:6][cH:7]1.[c:23]1(-[n:29]2[c:30](=[O:41])[n:31]([CH2:38][C:39]#[CH:40])[c:32]3[c:33]2[cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([C:40]#[C:39][CH2:38][n:31]2[c:30](=[O:41])[n:29](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:33]4[c:32]2[cH:37][cH:36][cH:35][cH:34]4)[s:17]3)[cH:4][cH:5][cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-ae296d806e1a4e019dfa5a293e823af1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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