HRID185315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89148

1,4-Benzodioxan-6-ylamine

C8H9NO2

HCID22060334

未命名化合物

HCID22060700

未命名化合物

PRODUCTS

产物

HCID22061121

N2-(3,4-ethylenedioxyphenyl)-5-fluoro-N4-[3-(hydroxymethyl)phenyl]-2,4-pyrimidinediamine

C19H17FN4O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c0a543b8c3424142a1bdfa12a5d2b167
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

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