Ethanol → HCID 178439987, compound

HRID 291640Notes

Reaction equation

HRID 291640 reaction equation
[B-:27]([F:28])([F:29])([F:30])[F:31].[CH2:79]([OH:80])[CH3:81].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[Cl:58][c:59]1[cH:60][c:61]2[c:62]([nH:63][c:64]([CH:66]([CH2:67][CH2:68][S:69][CH3:70])[NH2:71])[n:65]2)[cH:72][cH:73]1.[Cl:82][CH2:83][Cl:84].[O:1]=[c:2]1[nH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:24][CH2:25][CH3:26])[n:10]2-[c:11]1[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]1.[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[O:1]=[c:2]1[nH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:24][CH2:25][CH3:26])[n:10]2-[c:11]1[c:12]([C:20]([F:21])([F:22])[F:23])[cH:13][c:14]([C:15](=[O:16])[NH:71][CH:66]([c:64]2[nH:63][c:62]3[c:61]([cH:60][c:59]([Cl:58])[cH:73][cH:72]3)[n:65]2)[CH2:67][CH2:68][S:69][CH3:70])[cH:18][cH:19]1

Participants

9

Reactant 8

HCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 693125974-(4-Oxo-2-propyl-4,5-dihydroimidazo[4,5-c]pyridin-1-yl)-3-trifluoromethylbenzoic acidHCID 178503715HCID 178503715, compound

Product 1

HCID 178439987HCID 178439987, compound

Sources & evidence

ORD record
ord-2bf25a7e8b75458a8cfcea835a73338f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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