HRID166309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3406

4-Methylpyrazole

C4H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(Cl)c4ccccc34)cc2)n1

HCID42604330

未命名化合物

PRODUCTS

生成物

结构：CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-n4cc(C)cn4)c4ccccc34)cc2)n1

HCID57756264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31f6033a92d44677a961170eeaff6733
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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