HRID123064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：Cc1cc(CN2CCC(N3C(=O)CCC3C(=O)Nc3cc(Br)cc(-c4nnnn4C)c3)CC2)ccc1Cl

HCID66735042

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)C2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)cc(-c2nnnn2C)c1

HCID66733122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8f530f37c6f4a96b691991a554fbec3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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