Water → HCID 178462679, compound

HRID 1545029Notes

Reaction equation

HRID 1545029 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cs+:39].[Cs+:40].[F:1][c:2]1[c:3]([C:8]2([CH2:12][n:13]3[n:14][cH:15][n:16][cH:17]3)[O:9][CH:10]2[CH3:11])[cH:4][cH:5][cH:6][cH:7]1.[OH2:54].[n:18]1[n:19](-[c:23]2[cH:24][cH:25][c:26](-[n:29]3[c:30](=[O:34])[nH:31][cH:32][cH:33]3)[cH:27][cH:28]2)[n:20][n:21][cH:22]1>>[F:1][c:2]1[c:3]([C:8]([OH:9])([CH:10]([CH3:11])[n:31]2[c:30](=[O:34])[n:29](-[c:26]3[cH:25][cH:24][c:23](-[n:19]4[n:18][cH:22][n:21][n:20]4)[cH:28][cH:27]3)[cH:33][cH:32]2)[CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 108469511-[4-(2H-2-tetrazolyl)phenyl]-2(1H,3H)-imidazoloneHCID 224628411-[[2-(2-Fluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

Product 1

HCID 178462679HCID 178462679, compound

Sources & evidence

ORD record
ord-5389a52fc43443d0a0e2224876ac768e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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