HRID682194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID1713005

2-(2-Methoxyphenoxy)ethyl amine

C9H13NO2

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1)C(=O)OCC

HCID20765316

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)NCCOc1ccccc1OC)C(=O)OCC

HCID178435288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86d5a0838778475091ea1d264edd8e1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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