HRID1212438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(Nc3c(Cl)cncc3Cl)n(C)c2c2c1OC(C)(C)C2

HCID67502200

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c3c(c21)CC(C)(C)O3

HCID86664711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e681bfa2177c4371909c6e6facd5698a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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