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Hydroxide → 2-(3-(2-((2-Chlorophenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-8-yl)phenyl)acetic acid

HRID 198069
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반응식

HRID 198069 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:35]2)-[c:15]2[c:16]([cH:20][c:21](-[c:24]4[cH:25][c:26]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:27][cH:28][cH:29]4)[cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:36])[cH:4][cH:5][cH:6][cH:7]1.[Li+:37].[OH-:38].[OH2:44]>>[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:35]2)-[c:15]2[c:16]([cH:20][c:21](-[c:24]4[cH:25][c:26]([CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28][cH:29]4)[cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:36])[cH:4][cH:5][cH:6][cH:7]1
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반응물 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 44241821Methyl 2-(3-(2-((2-chlorophenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-8-yl)phenyl)acetate

생성물 1

HCID 442417642-(3-(2-((2-Chlorophenyl)(methyl)carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-8-yl)phenyl)acetic acid

출처 및 근거

ORD 기록
ord-65b0c0d4d80f4a359b89b09af9a0623c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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