HRID1555237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID69216273

未命名化合物

结构：O=C(Nc1cc(C(F)(F)F)cc2nc(Cl)[nH]c12)c1cc(F)c(F)c(F)c1

HCID178522153

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NC(=O)c3cc(F)c(F)c(F)c3)c2[nH]1

HCID178430137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe1715521ead4a3bb010b9735eb5e773
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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