HRID2157246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(=O)O)CN(C(=O)OC(C)(C)C)C2)nc2ccc(F)cc21

HCID70872690

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(=O)N3CCOCC3)CN(C(=O)OC(C)(C)C)C2)nc2ccc(F)cc21

HCID76731340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6357146c1e4cd890acfd5f69abef4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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