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Acetic Acid → {5-Aminomethyl-2-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-thiazol-4-yl}-acetic acid ethyl ester

HRID 1148473
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반응식

HRID 1148473 반응식
[BrH:45].[C:46]([OH:47])(=[O:48])[CH3:49].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([CH2:23][N:24]2[C:25](=[O:43])[CH2:26][N:27]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]4[c:36]([s:37]3)[cH:38][c:39]([Cl:42])[cH:40][cH:41]4)[CH2:28][CH2:29]2)[s:9][c:10]1[CH2:11][NH:12][C:13]([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22])=[O:44]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([CH2:23][N:24]2[C:25](=[O:43])[CH2:26][N:27]([S:30](=[O:31])(=[O:32])[c:33]3[cH:34][c:35]4[c:36]([s:37]3)[cH:38][c:39]([Cl:42])[cH:40][cH:41]4)[CH2:28][CH2:29]2)[s:9][c:10]1[CH2:11][NH2:12])=[O:44]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 69026982{5-(Benzyloxycarbonylamino-methyl)-2-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-thiazol-4-yl}-acetic acid ethyl ester

생성물 1

HCID 69024621{5-Aminomethyl-2-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-thiazol-4-yl}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-a49cec0331a34f199f71a432d8cdb617
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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