HRID1148667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID76804

4-(Trifluoromethyl)benzylamine

C8H8F3N

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3cccc(N)c3)cc21

HCID10151952

未命名化合物

PRODUCTS

生成物

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3cccc(NC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cc21

HCID10122608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fad00f567150496caa825bf1bab730bc
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

[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:25].[ClH:26].[F:13][C:14]([c:15]1[cH:16][cH:17][c:18]([CH2:19][NH2:20])[cH:21][cH:22]1)([F:23])[F:24].[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[cH:33][cH:34][c:35]3[c:36]([n:37]([CH3:56])[c:38]([CH2:40][O:41][c:42]4[cH:43][cH:44][c:45]([CH2:46][CH:47]5[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]5)[cH:54][cH:55]4)[n:39]3)[cH:57]2)[cH:58][cH:59][cH:60]1>>[C:1](=[O:2])([NH:20][CH2:19][c:18]1[cH:17][cH:16][c:15]([C:14]([F:13])([F:23])[F:24])[cH:22][cH:21]1)[NH:27][c:28]1[cH:29][c:30]([O:31][c:32]2[cH:33][cH:34][c:35]3[c:36]([n:37]([CH3:56])[c:38]([CH2:40][O:41][c:42]4[cH:43][cH:44][c:45]([CH2:46][CH:47]5[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]5)[cH:54][cH:55]4)[n:39]3)[cH:57]2)[cH:58][cH:59][cH:60]1