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Hydrochloric Acid → Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-pyrrol-1-ylbenzoate

HRID 151972
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HRID 151972 반응식
[CH3:20][O:21][c:22]1[n:23][c:24]([NH:30][C:31]([O:32][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:33])[n:25][c:26]([O:28][CH3:29])[cH:27]1.[CH3:52][N:53]([CH3:54])[C:55](=[O:56])[CH3:57].[ClH:51].[N:40]12[CH2:41][CH2:42][CH2:43][N:44]=[C:45]1[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2.[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12][c:13](-[n:15]2[cH:16][cH:17][cH:18][cH:19]2)[cH:14]1.[OH2:58]>>[NH:1]([S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12][c:13](-[n:15]2[cH:16][cH:17][cH:18][cH:19]2)[cH:14]1)[C:31]([NH:30][c:24]1[n:23][c:22]([O:21][CH3:20])[cH:27][c:26]([O:28][CH3:29])[n:25]1)=[O:32]
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HCID 313Hydrochloric AcidHCID 962WaterHCID 31374DimethylacetamideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 10945667Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl esterHCID 14837198methvl 2-(aminosulfonyl)4-(1H-pyrrol-1-yl)benzoate

생성물 1

HCID 14837199
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-pyrrol-1-ylbenzoate

출처 및 근거

ORD 기록
ord-b36c1dfa808d4c53a32a411662f706af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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