Water → 4-(4-methoxy-3-(2-oxo-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)acetyl)-1H-pyrrolo[2,3-c]pyridin-7-yl)thiazole-2-carbaldehyde

HRID 90088Notes

Reaction equation

HRID 90088 reaction equation
[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[O:1]1[CH:2]([c:6]2[s:7][cH:8][c:9](-[c:11]3[n:12][cH:13][c:14]([O:41][CH3:42])[c:15]4[c:16]3[nH:17][cH:18][c:19]4[C:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([c:29]4[n:30][n:31][n:32][n:33]4-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[CH2:27][CH2:28]3)=[O:40])[n:10]2)[O:5][CH2:4][CH2:3]1.[OH2:43]>>[O:1]=[CH:2][c:6]1[s:7][cH:8][c:9](-[c:11]2[n:12][cH:13][c:14]([O:41][CH3:42])[c:15]3[c:16]2[nH:17][cH:18][c:19]3[C:20]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][n:31][n:32][n:33]3-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:27][CH2:28]2)=[O:40])[n:10]1

Participants

4

Reactant 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 497701741-[7-[2-(1,3-dioxolan-2-yl)thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

Product 1

HCID 595113084-(4-methoxy-3-(2-oxo-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)acetyl)-1H-pyrrolo[2,3-c]pyridin-7-yl)thiazole-2-carbaldehyde

Sources & evidence

ORD record
ord-f8bc1df379764c00b2cad7ccac8e2855
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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