Water → N-Isopropyl-2-{3-[2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-acetamide
Reaction equation
[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH2:62]([Cl:63])[Cl:64].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]([CH3:7])[CH3:8].[I-:44].[NH:9]1[CH2:10][CH:11]([c:13]2[cH:14][c:15]3[c:16]([cH:34][cH:35]2)-[c:17]2[n:18][c:19](-[c:25]4[n:26]([CH:31]([CH3:32])[CH3:33])[n:27][c:28]([CH3:30])[n:29]4)[s:20][c:21]2[CH2:22][CH2:23][O:24]3)[CH2:12]1.[OH2:43]>>[CH2:2]([C:3](=[O:4])[NH:5][CH:6]([CH3:7])[CH3:8])[N:9]1[CH2:10][CH:11]([c:13]2[cH:14][c:15]3[c:16]([cH:34][cH:35]2)-[c:17]2[n:18][c:19](-[c:25]4[n:26]([CH:31]([CH3:32])[CH3:33])[n:27][c:28]([CH3:30])[n:29]4)[s:20][c:21]2[CH2:22][CH2:23][O:24]3)[CH2:12]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-dc6c74be3f504cbab57f2eb7e70583e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…