HRID186017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10945667

Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester

C13H13N3O4

HCID23028110

2-Chloro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide

C9H11ClN4O2S

PRODUCTS

生成物

结构：CCCc1ccc2nc(Cl)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1

HCID11990852

Propyrisulfuron

C16H18ClN7O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50402e9cd95341c5bb562477e96c0ba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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