HRID807867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14587

5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-

C15H13Cl

HCID13251299

未命名化合物

PRODUCTS

生成物

结构：C=CCNc1nc(NCC=C)nc(N2CCN(C3c4ccccc4CCc4ccccc43)CC2)n1

HCID14950909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f11145cfd24a609ee7021493d32e0c
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

[CH2:1]([CH:2]=[CH2:3])[NH:4][c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[n:8][c:9]([NH:11][CH2:12][CH:13]=[CH2:14])[n:10]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:22][CH:23]1[c:24]2[c:25]([cH:34][cH:35][cH:36][cH:37]2)[CH2:26][CH2:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2.[ClH:21].[OH2:57]>>[CH2:1]([CH:2]=[CH2:3])[NH:4][c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][N:18]([CH:23]3[c:24]4[c:25]([cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[CH2:19][CH2:20]2)[n:8][c:9]([NH:11][CH2:12][CH:13]=[CH2:14])[n:10]1