HRID105167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID1514400

tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate

C11H23N3O2

HCID20531189

未命名化合物

HCID58546768

未命名化合物

结构：N#Cc1cnc2cnc(F)cc2c1Nc1ccc(Cc2ccccc2)cc1

HCID69185247

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCNc2cc3c(Nc4ccc(Cc5ccccc5)cc4)c(C#N)cnc3cn2)CC1

HCID69183712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50cbc88000ee4a00a2c2cb751e007ba9
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

[C:28](=[O:29])([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:35]1[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][NH2:43])[CH2:39][CH2:40]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[c:16]([C:26]#[N:27])[cH:17][n:18][c:19]3[cH:20][n:21][c:22]([F:25])[cH:23][c:24]23)[cH:12][cH:13]1.[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:69][OH:70].[Cl:66][CH2:67][Cl:68].[F:44][c:45]1[cH:46][c:47]2[c:48]([n:49][cH:50]1)[n:51][cH:52][cH:53][cH:54]2.[F:55][c:56]1[cH:57][cH:58][c:59]2[c:60]([n:61][cH:62][cH:63][cH:64]2)[n:65]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[c:16]([C:26]#[N:27])[cH:17][n:18][c:19]3[cH:20][n:21][c:22]([NH:43][CH2:42][CH2:41][N:38]4[CH2:37][CH2:36][N:35]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:40][CH2:39]4)[cH:23][c:24]23)[cH:12][cH:13]1