HRID210051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID54309634

未命名化合物

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)c1c(F)cccc1F

HCID59513803

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1Cc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nn5ccccc45)n3)cc2C1

HCID11512754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25414158f96045fd8b682809c1175fea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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