HRID200118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7504

Benzylamine

C7H9N

HCID31275

1,4-Dioxane

C4H8O2

HCID2736948

2,4-Difluorobenzyl chloride

C7H5ClF2

HCID57576565

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Nc1nc(N)c2c(OCC3CCN(Cc4ccc(F)cc4F)CC3)cccc2n1

HCID25007784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4182c7b32449f59821b68afb9a4f12
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

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