HRID1134484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：CC1(C)CC(Nc2nccc(-c3ccc(CCC(=O)O)cc3)n2)CC(C)(C)N1

HCID57936234

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(Nc2nccc(-c3ccc(CCN)cc3)n2)CC(C)(C)N1

HCID57936250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e992da01cc37493f9f0e6567cf62f38b
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

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