Chloride → HCID 178457370, compound

HRID 669411Notes

Reaction equation

HRID 669411 reaction equation
[C:57]([BH3-:58])#[N:59].[C:61](=[O:62])([O-:63])[OH:64].[CH2:66]([Cl:67])[Cl:68].[CH3:74][OH:75].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[Cl-:69].[Cl-:70].[Cl-:71].[Cl-:72].[F:40][C:41]([C:42]([CH2:43][CH3:44])=[O:45])([F:46])[F:47].[NH2:1][CH2:2][CH2:3][N:4]1[C:5](=[O:39])[C:6]([CH3:37])([CH3:38])[O:7][c:8]2[c:9]1[cH:10][c:11]([C:18](=[O:19])[N:20]([CH:21]1[CH2:22][N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]1)[CH:34]([CH3:35])[CH3:36])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2.[Na+:60].[Na+:65].[Ti+4:73]>>[NH:1]([CH2:2][CH2:3][N:4]1[C:5](=[O:39])[C:6]([CH3:37])([CH3:38])[O:7][c:8]2[c:9]1[cH:10][c:11]([C:18](=[O:19])[N:20]([CH:21]1[CH2:22][N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]1)[CH:34]([CH3:35])[CH3:36])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[CH:42]([C:41]([F:40])([F:46])[F:47])[CH2:43][CH3:44]

Participants

11

Reactant 10

HCID 312Chloride4×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)HCID 2382881,1,1-Trifluorobutan-2-oneHCID 498716Cyano-borohydrideHCID 178457623tert-butyl 3-[[4-(2-aminoethyl)-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate

Product 1

HCID 178457370HCID 178457370, compound

Sources & evidence

ORD record
ord-5aaceda56a5e4d53ba804360d1f00e11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…