Ammonia → HCID 178428689, compound

HRID 164129Notes

Reaction equation

HRID 164129 reaction equation
[CH3:85][OH:86].[Cl:74][CH2:75][Cl:76].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]([c:19]3[cH:20][c:21]([CH3:40])[c:22]([CH2:25][N:26]4[CH2:27][CH:28]([CH3:39])[N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]4)[cH:23][cH:24]3)[CH3:41])[cH:13][n:14]2)[cH:6][cH:7]1.[F:42][c:43]1[cH:44][cH:45][c:46](-[c:47]2[n:48][cH:49][c:50]([S:51]([N:52]([CH3:53])[c:54]3[cH:55][cH:56][c:57]([CH2:58][N:59]4[CH2:60][CH2:61][NH:62][CH:63]([CH3:64])[CH2:65]4)[cH:66][cH:67]3)(=[O:68])=[O:69])[cH:70][cH:71]2)[cH:72][cH:73]1.[F:77][C:78]([F:79])([F:80])[C:81]([OH:82])=[O:83].[NH3:84]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[N:18]([c:19]3[cH:20][c:21]([CH3:40])[c:22]([CH2:25][N:26]4[CH2:27][CH:28]([CH3:39])[NH:29][CH2:30][CH2:31]4)[cH:23][cH:24]3)[CH3:41])[cH:13][n:14]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178428690HCID 178428690, compoundHCID 178430368HCID 178430368, compound

Product 1

HCID 178428689HCID 178428689, compound

Sources & evidence

ORD record
ord-65397f3d294a4cf7ab16363813e7569b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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