HRID101294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID24214350

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc(N)cn3)cc2)CC1

HCID58748726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccs5)ccc4Cl)cn3)cc2)CC1

HCID59652704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32b3049520e34680b7e5287e468abca6
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

[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH2:45][CH2:46][CH:47]([S:50](=[O:51])(=[O:52])[c:53]2[cH:54][cH:55][c:56]([NH:59][c:60]3[n:61][cH:62][c:63]([NH2:66])[cH:64][n:65]3)[cH:57][cH:58]2)[CH2:48][CH2:49]1.[CH3:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[Cl:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([O:27][CH3:28])[n:29]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[s:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1.[Cl:67][CH2:68][Cl:69]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:66][c:63]2[cH:62][n:61][c:60]([NH:59][c:56]3[cH:55][cH:54][c:53]([S:50]([CH:47]4[CH2:46][CH2:45][N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:49][CH2:48]4)(=[O:51])=[O:52])[cH:58][cH:57]3)[n:65][cH:64]2)[cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[s:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1