HRID1142135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2733373

ethyl 3-isocyanatopropanoate

C6H9NO3

HCID59004559

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)Nc1nc(C)c(-c2ccnc(N3CCOCC3)c2)s1

HCID11247129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b42c0dffe10d412d9a8d2131d13ec4a0
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

[BrH:1].[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH3:2][c:3]1[n:4][c:5]([NH2:20])[s:6][c:7]1-[c:8]1[cH:9][c:10]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:11][cH:12][cH:13]1.[Cl:40][CH2:41][Cl:42].[ClH:43].[N:30](=[C:31]=[O:32])[CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39]>>[CH3:2][c:3]1[n:4][c:5]([NH:20][C:31]([NH:30][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])=[O:32])[s:6][c:7]1-[c:8]1[cH:9][c:10]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:11][cH:12][cH:13]1