HRID800392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID166653

Hydride

H-

2 次

HCID520216

2-Fluorothiophenol

C6H5FS

结构：OC1CCCC1Nc1ncnc2c1ncn2C1OC(CCl)C(O)C1O

HCID178515821

未命名化合物

PRODUCTS

生成物

结构：OC1CCCC1Nc1ncnc2c1ncn2C1OC(CSc2ccccc2F)C(O)C1O

HCID22239901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-715d02df70824538b90d32a889492d57
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Ca+2:34].[F:36][c:37]1[c:38]([SH:43])[cH:39][cH:40][cH:41][cH:42]1.[H-:33].[H-:35].[OH:1][CH:2]1[CH:3]([NH:7][c:8]2[c:9]3[n:10][cH:11][n:12]([CH:17]4[O:18][CH:19]([CH2:24][Cl:25])[CH:20]([OH:23])[CH:21]4[OH:22])[c:13]3[n:14][cH:15][n:16]2)[CH2:4][CH2:5][CH2:6]1>>[OH:1][CH:2]1[CH:3]([NH:7][c:8]2[c:9]3[n:10][cH:11][n:12]([CH:17]4[O:18][CH:19]([CH2:24][S:43][c:38]5[c:37]([F:36])[cH:42][cH:41][cH:40][cH:39]5)[CH:20]([OH:23])[CH:21]4[OH:22])[c:13]3[n:14][cH:15][n:16]2)[CH2:4][CH2:5][CH2:6]1