HRID959412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID11378789

[3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine

C9H10N4

结构：Fc1ccc(-c2ccc3nc(Cl)nc(NCC(F)(F)F)c3n2)cc1

HCID58275412

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NCC(F)(F)F)c3n2)cc1

HCID44622552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96199f14d4b1492cb19229ca4b8df115
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:47](#[N:48])[CH3:49].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][c:4]([NH:19][CH2:20][C:21]([F:22])([F:23])[F:24])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10](-[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1)[n:11]2.[OH2:50].[n:25]1(-[c:30]2[cH:31][c:32]([CH2:33][NH2:34])[cH:35][cH:36][cH:37]2)[n:26][cH:27][n:28][cH:29]1>>[c:2]1([NH:34][CH2:33][c:32]2[cH:31][c:30](-[n:25]3[n:26][cH:27][n:28][cH:29]3)[cH:37][cH:36][cH:35]2)[n:3][c:4]([NH:19][CH2:20][C:21]([F:22])([F:23])[F:24])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10](-[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1)[n:11]2