HRID688080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2733703

2,4,6-Trichlorobenzoyl chloride

C7H2Cl4O

HCID11030760

未命名化合物

结构：Cc1ccn(-c2ccc(C(=O)O)c(C(F)(F)F)c2)n1

HCID15541086

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1

HCID9824954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae9086a73d3d43c58e8b5a63f5b5c40c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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