HRID700227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9731

4-Fluoroaniline

C6H6FN

HCID2734060

未命名化合物

反应SMILES：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)O)CC3)cc2F)ccn1)N1CCC(O)C1

HCID91606425

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)N1CCC(O)C1

HCID68497953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-adda2bc6f4d3408c95d951c87126bc1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[CH3:26].[CH3:3][O:4][c:5]1[n:6][c:7]([O:8][CH3:9])[n:10][c:11]([N+:12]2([CH3:13])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:19]1.[Cl-:2].[F:27][c:28]1[c:29]([NH:51][C:52](=[O:53])[C:54]2([C:57](=[O:58])[OH:59])[CH2:55][CH2:56]2)[cH:30][c:31]([F:50])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]3)[n:38][cH:39][cH:40]2)[cH:33]1.[NH2:60][c:61]1[cH:62][cH:63][c:64]([F:65])[cH:66][cH:67]1.[Na+:68].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH2:1].[OH:69][C:70](=[O:71])[O-:72]>>[F:27][c:28]1[c:29]([NH:51][C:52](=[O:53])[C:54]2([C:57](=[O:58])[NH:60][c:61]3[cH:62][cH:63][c:64]([F:65])[cH:66][cH:67]3)[CH2:55][CH2:56]2)[cH:30][c:31]([F:50])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]3)[n:38][cH:39][cH:40]2)[cH:33]1