HRID1122826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2F)CC1

HCID68846754

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2F)CC1

HCID68846633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f6524af1c9d4e4fa17827a246391592
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

[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:51][C:52]([O:53][CH:54]([CH3:55])[CH3:56])=[O:57].[Cl:58][CH2:59][Cl:60].[F:1][c:2]1[c:3](-[n:12]2[cH:13][cH:14][c:15]3[c:16]([O:21][CH:22]4[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]4)[cH:17][cH:18][cH:19][c:20]23)[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[F:1][c:2]1[c:3](-[n:12]2[cH:13][cH:14][c:15]3[c:16]([O:21][CH:22]4[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][CH:31]([CH3:32])[CH3:33])[CH2:26][CH2:27]4)[cH:17][cH:18][cH:19][c:20]23)[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1