HRID669411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID114942

Titanium(4+)

Ti+4

HCID238288

1,1,1-Trifluorobutan-2-one

C4H5F3O

HCID498716

未命名化合物

结构：CC(C)N(C(=O)c1cc2c(cc1C(F)(F)F)OC(C)(C)C(=O)N2CCN)C1CCCN(C(=O)OC(C)(C)C)C1

HCID178457623

tert-butyl 3-[[4-(2-aminoethyl)-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate

C27H39F3N4O5

PRODUCTS

生成物

结构：CCC(NCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCN(C(=O)OC(C)(C)C)C3)cc21)C(F)(F)F

HCID178457370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aaceda56a5e4d53ba804360d1f00e11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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]