HRID1126991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

HCID21103223

未命名化合物

PRODUCTS

生成物

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

HCID91166259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e44027ca0e14aad99cc3bd2fddbb36f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:34]([F:35])([F:36])([F:37])[F:38].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([C:10](=[O:11])[OH:12])([CH3:13])[CH3:14].[CH3:15][CH:16]([CH2:17][CH:18]([NH2:19])[B:20]1[O:21][C:22]2([CH3:32])[CH:23]([O:24]1)[CH2:25][CH:26]1[C:27]([CH3:30])([CH3:31])[CH:28]2[CH2:29]1)[CH3:33].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([C:10](=[O:12])[NH:19][CH:18]([CH2:17][CH:16]([CH3:15])[CH3:33])[B:20]1[O:21][C:22]2([CH3:32])[CH:23]([O:24]1)[CH2:25][CH:26]1[C:27]([CH3:30])([CH3:31])[CH:28]2[CH2:29]1)([CH3:13])[CH3:14]