HRID213069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID72921

2-(Pyridin-4-yl)ethanol

C7H9NO

结构：Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1O

HCID135507495

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ccncc1

HCID11548218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb75063528594d1fbfd537214d6494ee
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

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