Hydrochloric Acid → benzyl N-[7-[[1-(hydroxymethyl)pyrrolo[2,3-b]pyridin-4-yl]carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate

HRID 702695Notes

Reaction equation

HRID 702695 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][S:15][c:16]2[cH:17][c:18]([C:22](=[O:23])[NH:24][c:25]3[c:26]4[c:27]([n:28][cH:29][cH:30]3)[n:31]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[cH:32][cH:33]4)[cH:19][cH:20][c:21]21.[ClH:48].[K+:53].[K+:54].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][S:15][c:16]2[cH:17][c:18]([C:22](=[O:23])[NH:24][c:25]3[c:26]4[c:27]([n:28][cH:29][cH:30]3)[n:31]([CH2:34][OH:35])[cH:32][cH:33]4)[cH:19][cH:20][c:21]21

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 22337408benzyl N-[7-[[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Product 1

HCID 22337463benzyl N-[7-[[1-(hydroxymethyl)pyrrolo[2,3-b]pyridin-4-yl]carbamoyl]-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Sources & evidence

ORD record
ord-5c080b6f79aa40078ab80637e2280084
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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