HRID682432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID7912

Diisopropylamine

C6H15N

HCID153838

1H-Indazol-4-amine, 1-methyl-

C8H9N3

HCID11218492

1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

PRODUCTS

生成物

结构：Cn1ncc2c(NC(=O)N3CCN(c4cc(C(F)(F)F)ccn4)CC3)cccc21

HCID22337654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae02aedcd0046f28b2f658f436d46f7
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

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