HRID1139202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID81673

6-Methoxypyridazin-3-amine

C5H7N3O

HCID3280088

未命名化合物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

HCID53488102

1-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-4-methoxy-1H-benzimidazole

C16H15ClF2N6O2

PRODUCTS

生成物

结构：COc1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)nn1

HCID58102811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10498bc7c2694059a1176ab5f845c66b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:11][Si:12]([N-:13][Si:14]([CH3:15])([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:9])[n:7][n:8]1.[CH3:47][C:48](=[O:49])[OH:50].[Cl:20][c:21]1[n:22][c:23](-[n:33]2[c:34]([CH:44]([F:45])[F:46])[n:35][c:36]3[c:37]2[cH:38][cH:39][cH:40][c:41]3[O:42][CH3:43])[n:24][c:25]([N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[n:26]1.[Na+:10].[OH2:56]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][c:21]2[n:22][c:23](-[n:33]3[c:34]([CH:44]([F:45])[F:46])[n:35][c:36]4[c:37]3[cH:38][cH:39][cH:40][c:41]4[O:42][CH3:43])[n:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[n:26]2)[n:7][n:8]1