Chloride → HCID 53645033, compound

HRID 2141297Notes

Reaction equation

HRID 2141297 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:30]3[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]3)[c:12]2[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:18][cH:19]2)=[O:29])[cH:37]1.[Cl-:54].[Cl:39][CH2:40][CH2:41][N:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[ClH:38].[Cs+:51].[Cs+:52].[Na+:53].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:65]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:30]3[cH:31][cH:32][c:33]([O:36][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:34][cH:35]3)[c:12]2[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:18][cH:19]2)=[O:29])[cH:37]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidineHCID 104967Cesium cation2×HCID 10791955HCID 10791955, compound

Product 1

HCID 53645033HCID 53645033, compound

Sources & evidence

ORD record
ord-ccfb69555d7e4d92aca32e55fd91f703
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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