Water → HCID 70504214, compound

HRID 2322437Notes

Reaction equation

HRID 2322437 reaction equation
[CH2:49]1[CH2:50][O:51][CH2:52][CH2:53][NH:54]1.[CH3:56][C:57]#[N:58].[OH2:55].[P:1]([O:2][C:18](=[C:19]([C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1)[N:33]1[CH:34]2[S:35][C:36]([CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[N:37][CH:38]2[C:39]1=[O:40])[CH3:48])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17]>>[C:18](=[C:19]([C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1)[N:33]1[CH:34]2[S:35][C:36]([CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[N:37][CH:38]2[C:39]1=[O:40])([CH3:48])[N:54]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 8083MorpholineHCID 54246939HCID 54246939, compound

Product 1

HCID 70504214HCID 70504214, compound

Sources & evidence

ORD record
ord-3f57d5ff4acf49e98ebf7497e5b327df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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