Hydrochloric Acid → 2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

HRID 1113629

반응식

HRID 1113629 반응식
[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][cH:30]2.[CH2:62]([Cl:63])[Cl:64].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:66][OH:67].[ClH:61].[OH2:65].[c:41]1([C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[Cl:60])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][n:26]4[C:47]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][cH:30]2

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 6456Trityl chlorideHCID 8471TriethylamineHCID 178467362HCID 178467362, 화합물

생성물 1

HCID 103125632-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

출처 및 근거

ORD 기록
ord-4078c554746d4b9a9c78a73fa75df389
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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