HRID678368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6214

Hexachloroethane

C2Cl6

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68983

Trimethyl phosphine

C3H9P

HCID66757565

未命名化合物

HCID67341554

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CC(C)C1Nc1nc2c(-c3ccc(F)c(F)c3F)cccn2n1

HCID67343272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8ec8898efac49f3aa1a10d609814d29
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

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