HRID180997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID795

Imidazole

C3H4N2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

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

C7H6N4O

HCID166653

Hydride

H-

HCID2735329

1,2,4-Dithiazolidine-3-thione, 5-imino-

C2H2N2S3

结构：O=C(O)Cc1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1

HCID69306629

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1)Nc1nc(=S)ss1

HCID59680512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e1e6d89cd6f48d7a42d191666e55239
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

[C:29]([n:30]1[cH:31][cH:32][n:33][cH:34]1)([n:35]1[cH:36][cH:37][n:38][cH:39]1)=[O:40].[Cl-:56].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]([CH2:23][C:24](=[O:25])[OH:26])[cH:11][c:12]([O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[cH:13]2)[cH:27][cH:28]1.[H-:46].[NH2:48][c:49]1[s:50][s:51][c:52](=[S:54])[n:53]1.[NH4+:57].[Na+:47].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:55].[nH:41]1[cH:42][cH:43][n:44][cH:45]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]([CH2:23][C:24](=[O:25])[NH:48][c:49]3[s:50][s:51][c:52](=[S:54])[n:53]3)[cH:11][c:12]([O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[cH:13]2)[cH:27][cH:28]1