HRID181700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID20210

6-Bromohexanoic acid

C6H11BrO2

结构：C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1

HCID135411729

21H,23H-Porphine, 5,10,15,20-tetra-4-pyridinyl-

C40H26N8

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(O)CCCCC[n+]1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

HCID136332162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-696eb8a1339c44b69a80af3021b3460d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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