Water → HCID 54227761, compound

HRID 318130Notes

Reaction equation

HRID 318130 reaction equation
[CH2:51]1[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[CH2:57]([O:58][CH2:59][CH3:60])[CH3:61].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[N:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1)[P:23](=[O:24])([O:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[OH2:39].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1>>[NH2:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1)[P:23](=[O:24])([O:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

6

Reactant 5

HCID 962WaterHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 8078CyclohexaneHCID 54211819HCID 54211819, compound

Product 1

HCID 54227761HCID 54227761, compound

Sources & evidence

ORD record
ord-45bac89f34e74fc4addb8136dc81f8c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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