HRID1536778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID78302

N,N,N'-Trimethylpropane-1,3-diamine

C6H16N2

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(N(C)CCCN(C)C)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59208015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffb4a05281d845ad983231123f5c5358
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:36][N:37]([CH2:38][CH2:39][CH2:40][NH:41][CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[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]([N:41]([CH2:40][CH2:39][CH2:38][N:37]([CH3:36])[CH3:43])[CH3:42])[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