查数据/反应详情

HRID680492

反应详情

EQUATION

反应方程式

HRID 680492 的结构方程式

REACTANTS

反应物

2

结构：O=C(O)c1ncccc1OCC(F)(F)F

未命名化合物

结构：CC1(c2cc(N)ccc2F)N=C(N)OCC1(F)F

未命名化合物

PRODUCTS

生成物

1

结构：CC1(c2cc(NC(=O)c3ncccc3OCC(F)(F)F)ccc2F)N=C(N)OCC1(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27770b236af1420f80996e22e5ca52a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[F:19][C:20]([CH2:21][O:22][c:23]1[c:24]([C:29](=[O:30])[OH:31])[n:25][cH:26][cH:27][cH:28]1)([F:32])[F:33].[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH3:17])[N:9]=[C:10]([NH2:16])[O:11][CH2:12][C:13]2([F:14])[F:15])[cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH3:17])[N:9]=[C:10]([NH2:16])[O:11][CH2:12][C:13]2([F:14])[F:15])[cH:7]1)[C:29]([c:24]1[c:23]([O:22][CH2:21][C:20]([F:19])([F:32])[F:33])[cH:28][cH:27][cH:26][n:25]1)=[O:30]

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