HRID123945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8471

Triethylamine

C6H15N

结构：Cc1c(CN2CCN(c3nccnc3-c3ccc(CN)cc3)CC2)cnn1C

HCID59322009

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)NCc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1

HCID59321909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ad06654cdc44cc0bd9d3721488516b8
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

[CH3:1][n:2]1[n:3][cH:4][c:5]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][cH:18][n:19][c:20]3-[c:21]3[cH:22][cH:23][c:24]([CH2:25][NH2:26])[cH:27][cH:28]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:45][C:46]#[N:47].[Cl:36][C:37](=[O:38])[O:39][CH3:40].[Cl:42][CH2:43][Cl:44].[ClH:41].[OH2:48]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][cH:18][n:19][c:20]3-[c:21]3[cH:22][cH:23][c:24]([CH2:25][NH:26][C:37](=[O:38])[O:39][CH3:40])[cH:27][cH:28]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[ClH:36]