HRID194978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID78492

2-Furanmethanamine, N-methyl-

C6H9NO

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(Cl)c1F

HCID58000755

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccco1)c1nc(Cl)nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F

HCID86637016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7830725d2a240e2b3516f273f509a75
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

[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]1[n:18][c:19]([Cl:25])[n:20][c:21]([Cl:24])[c:22]1[F:23])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[OH2:53].[o:40]1[c:41]([CH2:45][NH:46][CH3:47])[cH:42][cH:43][cH:44]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]1[n:18][c:19]([Cl:25])[n:20][c:21]([N:46]([CH2:45][c:41]2[o:40][cH:44][cH:43][cH:42]2)[CH3:47])[c:22]1[F:23])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]