HRID2139449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID31275

1,4-Dioxane

C4H8O2

HCID605671

5-(Trifluoromethyl)-m-anisidine

C8H8F3NO

HCID56594616

N4-[4-(4-Ethyl-1-piperazinyl)phenyl]-N6-methyl-4,6-pyrimidinediamine

C17H24N6

HCID58086654

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4cc(OC)cc(C(F)(F)F)c4)ncn3)cc2)CC1

HCID23630277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2260c96cdad94eeaa43c36140f3cf998
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:33]([CH3:34])[N:35]1[CH2:36][CH2:37][N:38]([c:41]2[cH:42][cH:43][c:44]([NH:47][c:48]3[n:49][cH:50][n:51][c:52]([NH:54][CH3:55])[cH:53]3)[cH:45][cH:46]2)[CH2:39][CH2:40]1.[CH3:18][O:19][c:20]1[cH:21][c:22]([C:29]([F:30])([F:31])[F:32])[cH:23][c:24]([N:26]=[C:27]=[O:28])[cH:25]1.[CH3:5][O:6][c:7]1[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]([NH2:17])[cH:16]1.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:1][C:2](=[O:3])[Cl:4].[Cl:74][CH2:75][Cl:76].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1>>[CH3:18][O:19][c:20]1[cH:21][c:22]([C:29]([F:30])([F:31])[F:32])[cH:23][c:24]([NH:26][C:27](=[O:28])[N:54]([c:52]2[n:51][cH:50][n:49][c:48]([NH:47][c:44]3[cH:43][cH:42][c:41]([N:38]4[CH2:37][CH2:36][N:35]([CH2:33][CH3:34])[CH2:40][CH2:39]4)[cH:46][cH:45]3)[cH:53]2)[CH3:55])[cH:25]1