HRID137844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID103959

Phenyl N-phenylphosphoramidochloridate

C12H11ClNO2P

HCID9965429

4-Methyl-N~3~-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

C16H15N5

HCID23073577

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CC(C)NC(C)C3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID10415934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35057cf6ad1e48a198a8ba94e624d29c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][c:25]1[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][c:33]1[CH2:34][N:35]1[CH2:36][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]1.[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][cH:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:43][CH2:44][Cl:45].[ClH:22].[ClH:23].[OH2:63].[c:46]1([NH:47][P:48]([Cl:49])(=[O:50])[O:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][cH:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH:6][C:28]([c:27]2[cH:26][c:25]([Br:24])[c:33]([CH2:34][N:35]3[CH2:36][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]3)[cH:32][cH:31]2)=[O:29])[cH:7][cH:8]1