HRID1117037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCCCCCCCCCCCOc1nc(Cl)nc(OCCCCCCCCCCCC)n1

HCID590644

1,3,5-Triazine, 2-chloro-4,6-bis(dodecyloxy)-

C27H50ClN3O2

HCID10563427

[1,1':3',1''-Terphenyl]-2',5'-diol

C18H14O2

PRODUCTS

生成物

结构：CCCCCCCCCCCCOc1nc(OCCCCCCCCCCCC)nc(Oc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)n1

HCID70605606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f3bed7f5edc425a92756ca474c370c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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