HRID294318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID67789

4-Fluorothiophenol

C6H5FS

HCID79873

1,3,4,6,7,8-Hexahydro-2H-pyrimido(1,2-a)pyrimidine

C7H13N3

结构：FC(F)(F)C1(c2ccc3c(cnn3-c3ccccc3)c2)CO1

HCID57943251

未命名化合物

PRODUCTS

生成物

结构：OC(CSc1ccc(F)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F

HCID57943219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f73128d809f8410ba9f3a00cd54ae6d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[F:33][c:34]1[cH:35][cH:36][c:37]([SH:40])[cH:38][cH:39]1.[N:1]12[CH2:2][CH2:3][CH2:4][NH:5][C:6]1=[N:7][CH2:8][CH2:9][CH2:10]2.[c:11]1(-[n:17]2[n:18][cH:19][c:20]3[cH:21][c:22]([C:26]4([C:29]([F:30])([F:31])[F:32])[O:27][CH2:28]4)[cH:23][cH:24][c:25]23)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[c:11]1(-[n:17]2[n:18][cH:19][c:20]3[cH:21][c:22]([C:26]([OH:27])([CH2:28][S:40][c:37]4[cH:36][cH:35][c:34]([F:33])[cH:39][cH:38]4)[C:29]([F:30])([F:31])[F:32])[cH:23][cH:24][c:25]23)[cH:12][cH:13][cH:14][cH:15][cH:16]1