HRID820264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc2c(cc1C(F)(F)F)NCCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID72297395

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1C(F)(F)F)N(C(=O)Cl)CCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID72297308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43f5dee7c61a46f699a243e1792b9127
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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