Hydrochloric Acid → HCID 58074101, compound

HRID 286392Notes

Reaction equation

HRID 286392 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cl:28][c:29]1[n:30][cH:31][c:32]([CH2:35][CH3:36])[cH:33][n:34]1.[ClH:1].[Cs+:41].[Cs+:42].[NH:2]1[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][c:11]([N:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20]([C:24](=[O:25])[O:26][CH3:27])[cH:21][cH:22][c:23]43)[n:12][cH:13][n:14]2)[CH2:6][CH2:7]1.[OH2:43]>>[N:2]1([c:29]2[n:30][cH:31][c:32]([CH2:35][CH3:36])[cH:33][n:34]2)[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][c:11]([N:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20]([C:24](=[O:25])[O:26][CH3:27])[cH:21][cH:22][c:23]43)[n:12][cH:13][n:14]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 35727632-Chloro-5-ethylpyrimidineHCID 66709593HCID 66709593, compound

Product 1

HCID 58074101HCID 58074101, compound

Sources & evidence

ORD record
ord-978186c09608418e995b7728ddfcc269
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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