HRID1138936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID40274

N-(1,1-Dimethylethyl)-1,3-propanediamine

C7H18N2

结构：CCCNC(=O)c1ccc(C)c(-c2nc(S(C)=O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID11950264

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(NCCCNC(C)(C)C)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59208105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da704962629b49cebe585bff6fb5cc93
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

[CH3:36][C:37]([CH3:38])([CH3:39])[NH:40][CH2:41][CH2:42][CH2:43][NH2:44].[Cl:45][CH2:46][Cl:47].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:35])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:32]([CH3:33])=[O:34])[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>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:35])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:44][CH2:43][CH2:42][CH2:41][NH:40][C:37]([CH3:36])([CH3:38])[CH3:39])[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