Water → (+/-)-N-(3-pyridylmethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
Reaction equation
[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[OH:27])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1.[NH2:60][CH2:61][c:62]1[cH:63][n:64][cH:65][cH:66][cH:67]1.[OH2:68].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][P+:37]([N:38]([CH3:39])[CH3:40])([N:41]([CH3:42])[CH3:43])[N:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[NH:60][CH2:61][c:62]3[cH:63][n:64][cH:65][cH:66][cH:67]3)[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1Participants
8
Reactant 7
HCID 962Water
HCID 6228Dimethylformamide
HCID 8471Triethylamine
HCID 9886Hexafluorophosphate
HCID 310183-Pyridinemethanamine
HCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium
HCID 197049212-[7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acidProduct 1
Sources & evidence
- ORD record
- ord-99e2415c2dae43bea92a9c983f5fc651
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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