Benzene → HCID 20525063, compound

HRID 1554972Notes

Reaction equation

HRID 1554972 reaction equation
[CH2:51]([N:52]([CH2:53][CH3:54])[CH2:55][CH3:56])[CH3:57].[F:36][c:37]1[c:38](=[O:44])[nH:39][c:40](=[O:43])[nH:41][cH:42]1.[OH:1][C:2]([CH2:3][c:4]1[s:5][cH:6][cH:7][cH:8]1)=[O:9].[c:10]1([P:11]([N:12]=[N+:13]=[N-:14])([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[s:27]1[c:28]([CH2:32][N:33]=[C:34]=[O:35])[cH:29][cH:30][cH:31]1>>[s:27]1[c:28]([CH2:32][NH:33][C:34](=[O:35])[n:41]2[c:40](=[O:43])[nH:39][c:38](=[O:44])[c:37]([F:36])[cH:42]2)[cH:29][cH:30][cH:31]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 33855-FluorouracilHCID 8471TriethylamineHCID 159702-Thiopheneacetic acidHCID 199401P,P-Diphenylphosphinic azideHCID 158906212-(Isocyanatomethyl)thiophene

Product 1

HCID 20525063HCID 20525063, compound

Sources & evidence

ORD record
ord-23bc21a2feca4e31adbb9523fa867724
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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