HRID208587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID4113

Methoxyamine

CH5NO

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID31374

Dimethylacetamide

C4H9NO

结构：CN(Cc1ccccc1)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F

HCID10919052

未命名化合物

PRODUCTS

生成物

结构：CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1

HCID3038517

Sufugolix

C36H31F2N5O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad456475fffd45388b0ea511c8c75722
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:2][O:3][NH2:4].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][C:72]([N:73]([CH3:74])[CH3:75])=[O:76].[Cl:11][C:12](=[O:13])[O:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[ClH:1].[NH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH2:54][N:55]([CH3:56])[CH2:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:30]3[c:31]([n:32]([CH2:44][c:45]4[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]4[F:51])[c:33](=[O:43])[n:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:35]3=[O:36])[s:53]2)[cH:26][cH:27]1.[OH2:77].[cH:5]1[cH:6][cH:7][n:8][cH:9][cH:10]1>>[CH3:2][O:3][NH:4][C:12](=[O:13])[NH:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([CH2:54][N:55]([CH3:56])[CH2:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:30]3[c:31]([n:32]([CH2:44][c:45]4[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]4[F:51])[c:33](=[O:43])[n:34](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:35]3=[O:36])[s:53]2)[cH:26][cH:27]1