HRID1117549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID11380046

未命名化合物

HCID22258335

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc2cnccc12)NC1CCc2cc(F)ccc2C1CC1CC1

HCID22258331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e4b5324c33242b0b682b3464cddf99c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:47][S:48]([CH3:49])=[O:50].[CH:2]1([CH2:5][CH:6]2[CH:7]([NH2:17])[CH2:8][CH2:9][c:10]3[cH:11][c:12]([F:16])[cH:13][cH:14][c:15]32)[CH2:3][CH2:4]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:1].[c:18]1([O:24][C:25](=[O:19])[NH:26][c:27]2[c:28]3[cH:29][cH:30][n:31][cH:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:20][cH:21][cH:22][cH:23][cH:37]1>>[CH:2]1([CH2:5][CH:6]2[CH:7]([NH:17][C:25](=[O:24])[NH:26][c:27]3[c:28]4[cH:29][cH:30][n:31][cH:32][c:33]4[cH:34][cH:35][cH:36]3)[CH2:8][CH2:9][c:10]3[cH:11][c:12]([F:16])[cH:13][cH:14][c:15]32)[CH2:3][CH2:4]1