HRID1146609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

结构：Nc1cc(Oc2ccc(NC(=O)OCc3ccccc3)c(F)c2)ccn1

HCID57470855

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCCC4)CC3)c2)cc1F)OCc1ccccc1

HCID23153372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be5c1394850040c1b187a144d2aaf6e2
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

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