HRID320929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID25423

Chloramine

H2ClN

HCID30165

Iodide ion

I-

结构：CC1(C)OB(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C(F)(F)F)c23)OC1(C)C

HCID70842044

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cnc(NC(C2CC2)C(F)(F)F)c2c1[nH]c1cc(I)ccc12

HCID72321911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5bd9c894c54d8a972396d3ab05a4f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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