Water → HCID 76597763, compound

HRID 701106

Reaction equation

HRID 701106 reaction equation
[C:18](=[S:19])([c:20]1[nH:21][cH:22][cH:23][n:24]1)[c:25]1[nH:26][cH:27][cH:28][n:29]1.[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[N:30]([NH2:31])=[C:32]([CH3:33])[c:34]1[n:35][n:36]([CH3:50])[c:37](-[c:40]2[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]2)[c:38]1[OH:39].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[NH:6][C:7](=[O:10])[CH2:8][O:9]2.[OH2:51]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[NH:6][C:7](=[O:10])[CH2:8][O:9]2)[C:18](=[S:19])[NH:31][N:30]=[C:32]([CH3:33])[c:34]1[n:35][n:36]([CH3:50])[c:37](-[c:40]2[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]2)[c:38]1[OH:39]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 27641827-amino-3,4-dihydro-2H-1,4-benzoxazin-3-oneHCID 11412697Thiocarbonyl diimidazoleHCID 72360113HCID 72360113, compound

Product 1

HCID 76597763HCID 76597763, compound

Sources & evidence

ORD record
ord-d8c3da98b05f47ffa104c4314e762f20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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