HRID90697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID13648483

Phenyl cyclopropylcarbamate

C10H11NO2

结构：COc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1NC(=O)OCc1ccccc1

HCID58931409

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(F)c3)c2cc1NC(=O)OCc1ccccc1

HCID58931295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2271821b41ad4fc0bdaf55d2979ea5ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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