HRID1119967

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

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID118342

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid

C9H7F3O2

HCID130500

未命名化合物

HCID178507541

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

HCID178520267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af9e96a9e86d4146bf109ebd9abb15dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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