Sodium ion → HCID 16119002, compound

HRID 2343285Notes

Reaction equation

HRID 2343285 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:37]1[CH2:38][O:39][CH2:40][CH2:41][NH:42]1.[Cl:57][CH:58]([Cl:59])[CH3:60].[Cl:61][CH2:62][Cl:63].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:16]1[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]3[c:27]([F:36])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[cH:20][cH:21]1)[c:9]([CH2:13][O:14][CH3:15])[c:10]2[CH:11]=[O:12].[Na+:56]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:16]1[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]3[c:27]([F:36])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[cH:20][cH:21]1)[c:9]([CH2:13][O:14][CH3:15])[c:10]2[CH2:11][N:42]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 57955296N-{4-[4-amino-7-formyl-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-N'-[2-fluoro-5-(trifluoro-methyl)phenyl]urea

Product 1

HCID 16119002HCID 16119002, compound

Sources & evidence

ORD record
ord-5d9f8e5ee24c45eba58bee12284c0f56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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