HRID2330993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2771758

1H-benzimidazole-4-carboxylic acid

C8H6N2O2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58550738

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3[nH]cnc23)CC1

HCID58550819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a7416cc4dd14bd3b9b37f4e56430b1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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