HRID2327900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID130500

未命名化合物

HCID270655

Boc-DL-valine

C10H19NO4

结构：CC(C)CC([NH3+])B1OC2CC3CC(C3(C)C)C2(C)O1

HCID178446830

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)B1OC2CC3CC(C3(C)C)C2(C)O1

HCID178446623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc9fb93ee3d8490eaba0ed8c36335131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[B-:42]([F:43])([F:44])([F:45])[F:46].[C:27](=[O:28])([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[NH:34][CH:35]([CH:36]([CH3:37])[CH3:38])[C:39](=[O:40])[OH:41].[CH3:8][CH:9]([CH2:10][CH:11]([B:12]1[O:13][C:14]2([CH3:24])[CH:15]3[C:16]([CH3:22])([CH3:23])[CH:17]([CH2:18][CH:19]2[O:20]1)[CH2:21]3)[NH3+:25])[CH3:26].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:8][CH:9]([CH2:10][CH:11]([B:12]1[O:13][C:14]2([CH3:24])[CH:15]3[C:16]([CH3:22])([CH3:23])[CH:17]([CH2:18][CH:19]2[O:20]1)[CH2:21]3)[NH:25][C:39]([CH:35]([NH:34][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH:36]([CH3:37])[CH3:38])=[O:40])[CH3:26]