HRID96568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

结构：O=C(O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1

HCID14280990

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCN(Cc2ccccc2)CC1

HCID15005646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37fa81522e5b4205b930a0b0d138632a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[NH2:22][CH:23]1[CH2:24][CH2:25][N:26]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:27][CH2:28]1.[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6][c:7]3[cH:8][cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:11][c:12]3[cH:13]2)[nH:21]1.[OH2:69].[c:43]1([P:44]([N:45]=[N+:46]=[N-:47])([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[O:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6][c:7]3[cH:8][cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:20])[NH:22][CH:23]4[CH2:24][CH2:25][N:26]([CH2:29][c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[CH2:27][CH2:28]4)[cH:11][c:12]3[cH:13]2)[nH:21]1