1-Butanol → (2-{[4-(4-Chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl}-5,7-dimethyl-1H-indol-1-yl)acetic acid

HRID 214923Notes

Reaction equation

HRID 214923 reaction equation
[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[Cl:1][c:2]1[cH:3][c:4]([O:42][CH3:43])[c:5](-[c:10]2[n:11][c:12]([NH:23][C:24](=[O:25])[c:26]3[n:27]([CH2:37][C:38](=[O:39])[O:40][CH3:41])[c:28]4[c:29]([CH3:36])[cH:30][c:31]([CH3:35])[cH:32][c:33]4[cH:34]3)[s:13][c:14]2[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][c:7]1[O:8][CH3:9].[ClH:50].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4]([O:42][CH3:43])[c:5](-[c:10]2[n:11][c:12]([NH:23][C:24](=[O:25])[c:26]3[n:27]([CH2:37][C:38](=[O:39])[OH:40])[c:28]4[c:29]([CH3:36])[cH:30][c:31]([CH3:35])[cH:32][c:33]4[cH:34]3)[s:13][c:14]2[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][c:7]1[O:8][CH3:9]

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 86594538HCID 86594538, compound

Product 1

HCID 9852833(2-{[4-(4-Chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl}-5,7-dimethyl-1H-indol-1-yl)acetic acid

Sources & evidence

ORD record
ord-52cf5d28db584d52814c92cbec7ac293
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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