查数据/反应详情

HRID1239654

反应详情

EQUATION

反应方程式

HRID 1239654 的结构方程式

REACTANTS

反应物

2

结构：CCNc1nc(Cl)nc(NC(C)C)n1

Atrazine

C8H14ClN5

结构：CCNc1nc(NCC)nc(SC)n1

Simetryn

C8H15N5S

PRODUCTS

生成物

1

结构：CCNc1nc(Cl)nc(NCC)n1

Simazine

C7H12ClN5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b483dc703eca49e085cf1a4a0341cdae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:15][S:16][c:17]1[n:18][c:19]([NH:20][CH2:21][CH3:22])[n:23][c:24]([NH:25][CH2:26][CH3:27])[n:28]1.[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]([CH3:13])[CH3:14])[n:5][c:6]([NH:8][CH2:9][CH3:10])[n:7]1>>[Cl:1][c:2]1[n:3][c:4]([NH:11][CH2:12][CH3:13])[n:5][c:6]([NH:8][CH2:9][CH3:10])[n:7]1

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