HRID187690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID78485

N-Methylisopropylamine

C4H11N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(C=CCBr)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1

HCID66849742

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)CC=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1

HCID66877252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1018a86d2d9e4e16b32e248032419b1b
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

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