HRID196157

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

HCID9886

Hexafluorophosphate ion

F6P-

HCID75655

4-(4-Morpholino)aniline

C10H14N2O

HCID130500

未命名化合物

结构：Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cccc(C(=O)O)c1

HCID59822363

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1

HCID59822359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-766b1d7fbd1440c7ac5408a84cacff8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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