HRID1219731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID152842

Bis(2-oxo-3-oxazolidinyl)phosphinic chloride

C6H8ClN2O5P

HCID2736105

N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine

C10H23N3

结构：COc1ccccc1-c1n[nH]c2ncc(-c3cc(Cl)c(O)c(C(=O)O)c3)cc12

HCID178489395

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCN1CCN(C(=O)c2cc(-c3cnc4[nH]nc(-c5ccccc5OC)c4c3)cc(Cl)c2O)CC1

HCID178464031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24cd599f73b54796a1f487ef17f34145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:57](=[O:58])([OH:59])[O-:60].[CH2:29]([CH3:30])[N:31]([CH2:32][CH2:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1)[CH2:40][CH3:41].[CH3:62][C:63]#[N:64].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Cl:1][c:2]1[c:3]([OH:28])[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1.[Na+:61].[O:42]=[C:43]1[N:44]([P:45]([Cl:46])([N:47]2[CH2:48][CH2:49][O:50][C:51]2=[O:52])=[O:53])[CH2:54][CH2:55][O:56]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70]>>[Cl:1][c:2]1[c:3]([OH:28])[c:4]([C:5](=[O:7])[N:37]2[CH2:36][CH2:35][N:34]([CH2:33][CH2:32][N:31]([CH2:29][CH3:30])[CH2:40][CH3:41])[CH2:39][CH2:38]2)[cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1