HRID2158224

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

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：NCCCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

HCID22031071

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

HCID22032216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52af519e691a411292cd56c7a0772c49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:66](=[O:67])([OH:68])[O-:69].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][C:60](=[O:61])[O:62][C:63](=[O:64])[CH3:65].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Cl:71][CH2:72][Cl:73].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][CH2:29][NH2:30])[cH:31][cH:32]2)[cH:20][n:21]3)[cH:6][cH:7]1.[Na+:70]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][CH2:29][NH:30][C:60]([CH3:59])=[O:61])[cH:31][cH:32]2)[cH:20][n:21]3)[cH:6][cH:7]1