Water → HCID 91338491, compound

HRID 1558573Notes

Reaction equation

HRID 1558573 reaction equation
[C:39]([NH:40][NH2:41])(=[O:42])[O:43][CH2:44][CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:26]([CH2:27][c:28]2[c:29]([C:34]([F:35])([F:36])[F:37])[n:30][cH:31][cH:32][cH:33]2)=[O:38])[cH:12][c:13]([N+:23](=[O:24])[O-:25])[c:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[OH2:57].[c:46]1([CH3:47])[cH:48][cH:49][c:50]([S:51]([OH:52])(=[O:53])=[O:54])[cH:55][cH:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:26]([CH2:27][c:28]2[c:29]([C:34]([F:35])([F:36])[F:37])[n:30][cH:31][cH:32][cH:33]2)=[N:41][NH:40][C:39](=[O:42])[O:43][CH2:44][CH3:45])[cH:12][c:13]([N+:23](=[O:24])[O-:25])[c:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 20064Hydrazinecarboxylic acid, ethyl esterHCID 687038971-(3,4-Bis(benzyloxy)-5-nitrophenyl)-2-(2-(trifluoromethyl)pyridin-3-yl)ethanone

Product 1

HCID 91338491HCID 91338491, compound

Sources & evidence

ORD record
ord-3e0187fe0d3f4c0a85621667df07c0ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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