HRID283811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

2 次

HCID6115

Aniline

C6H7N

HCID6367

Acetyl chloride

C2H3ClO

HCID76084

1,3-Benzenediamine, N,N-dimethyl-

C8H12N2

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Cl)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID59673978

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(N(C)C)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID11490731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ca783a7bf2d46298a1f8d5b79173413
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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