HRID87148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2802539

5-BROMO-3-PYRIDYLACETIC ACID

C7H6BrNO2

结构：CN1CCN(c2cc(-c3ccc4c(c3)CNCC4)nc(N)n2)CC1

HCID49779438

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)Cc3cncc(Br)c3)CC4)nc(N)n2)CC1

HCID59496534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4885c7a9f7964b6eb68bf4754f6dfd6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:35][c:36]1[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][n:40][cH:41]1.[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[n:19][c:20]([NH2:34])[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[CH2:31][NH:30][CH2:29][CH2:28]4)[cH:23]2)[CH2:16][CH2:17]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[ClH:10].[ClH:8].[ClH:9].[OH2:73].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][P+:55]([N:56]([CH3:57])[CH3:58])([N:59]([CH3:60])[CH3:61])[N:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[n:19][c:20]([NH2:34])[n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]4[c:32]([cH:33]3)[CH2:31][N:30]([C:43]([CH2:42][c:38]3[cH:37][c:36]([Br:35])[cH:41][n:40][cH:39]3)=[O:44])[CH2:29][CH2:28]4)[cH:23]2)[CH2:16][CH2:17]1