HRID295023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：CCc1cc(CO)sc1-c1noc(-c2ccc(Oc3ccccc3)c(Cl)c2)n1

HCID68525760

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CN2CC(C(=O)OC)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(Cl)c2)n1

HCID68525794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f3713a38fec400bb6d3105fe567ebf8
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

[C:29]([Br:30])([Br:31])([Br:32])[Br:33].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][c:4](-[c:15]2[n:16][c:17](-[c:20]3[c:21]([CH2:27][CH3:28])[cH:22][c:23]([CH2:25][OH:26])[s:24]3)[n:18][o:19]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[ClH:53].[NH:54]1[CH2:55][CH:56]([C:58](=[O:59])[O:60][CH3:61])[CH2:57]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:15]2[n:16][c:17](-[c:20]3[c:21]([CH2:27][CH3:28])[cH:22][c:23]([CH2:25][N:54]4[CH2:55][CH:56]([C:58](=[O:59])[O:60][CH3:61])[CH2:57]4)[s:24]3)[n:18][o:19]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1