HRID805408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12490979

2,3-Dihydro-1H-pyrrolo[3,2-c]pyridine

C7H8N2

结构：O=C(O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1

HCID58117493

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1)N1CCc2cnccc21

HCID49801090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d67dd021f2794704b5832ff5b2d555be
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B-:48]([F:49])([F:50])([F:51])[F:52].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:1].[NH:30]1[CH2:31][CH2:32][c:33]2[cH:34][n:35][cH:36][cH:37][c:38]21.[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[O:2]=[C:3]1[NH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[C:11]12[CH2:12][c:13]1[cH:14][cH:15][c:16]([NH:20][c:21]3[cH:22][c:23]([C:27](=[O:28])[N:30]4[CH2:31][CH2:32][c:33]5[cH:34][n:35][cH:36][cH:37][c:38]54)[n:24][cH:25][n:26]3)[cH:17][c:18]1[CH2:19]2