HRID309085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID95062

1,3-Benzodioxole-5-carboxaldehyde, 6-bromo- (9CI)

C8H5BrO3

结构：Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11234297

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc2c(-c3cccc(NCc4cc5c(cc4Br)OCO5)c3)c(Cc3ccccc3)cnc12

HCID66914325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-917467bfaa914a99b08e9c847df7604b
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

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