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Triethylamine → Acetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]-dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl ester

HRID 2315145
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HRID 2315145 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([C:7]([NH:8][c:9]1[c:10]([I:23])[c:11]([C:20](=[O:21])[Cl:22])[c:12]([I:19])[c:13]([C:16](=[O:17])[Cl:18])[c:14]1[I:15])=[O:24])[O:25][C:26]([CH3:27])=[O:28].[CH3:29][C:30]1([CH3:40])[O:31][CH2:32][CH:33]([CH2:35][NH:36][CH2:37][CH2:38][OH:39])[O:34]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([C:7]([NH:8][c:9]1[c:10]([I:23])[c:11]([C:20](=[O:21])[Cl:22])[c:12]([I:19])[c:13]([C:16](=[O:17])[N:36]([CH2:35][CH:33]2[CH2:32][O:31][C:30]([CH3:29])([CH3:40])[O:34]2)[CH2:37][CH2:38][OH:39])[c:14]1[I:15])=[O:24])[O:25][C:26]([CH3:27])=[O:28]
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반응물 3

HCID 8471TriethylamineHCID 205536662-[(2,2-Dimethyl-[1,3]dioxolan-4-yl-methyl)-amino]-ethanolHCID 59413986Acetic acid 2-acetoxy-1-(3,5-bis-chlorocarbonyl-2,4,6-triiodo-phenylcarbamoyl)-ethyl ester

생성물 1

HCID 59470592Acetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]-dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl ester

출처 및 근거

ORD 기록
ord-6a900881199f4759b156e2f660216cab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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