HRID307605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2756424

tert-Butyl (2-aminoethyl)methylcarbamate

C8H18N2O2

结构：CCCNC(=O)c1ccc(C)c(-c2nc(S(C)(=O)=O)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

HCID59212684

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(NCCN(C)C(=O)OC(C)(C)C)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

HCID59212751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a373f070c2d145b68166f00594701ebf
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

[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:36])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:32]([CH3:33])(=[O:34])=[O:35])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[NH2:37][CH2:38][CH2:39][N:40]([C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH3:48]>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:36])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:37][CH2:38][CH2:39][N:40]([C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH3:48])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1