Bicarbonate Ion → HCID 10123048, compound

HRID 701286Notes

Reaction equation

[C:68](=[O:69])([OH:70])[O-:71].[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:28]4[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]4)[n:15][n:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][OH:27])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:58])[P:40]([O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([O:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])([CH3:59])[CH3:60].[Cl:73][CH2:74][Cl:75].[Na+:66].[Na+:67].[Na+:72].[S:61]([O-:62])([O-:63])(=[O:64])=[S:65]>>[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:28]4[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]4)[n:15][n:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][O:27][P:40]([O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)([O:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)=[O:57])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion3×

HCID 1084Thiosulfate ion

HCID 6344Dichloromethane

HCID 10140204HCID 10140204, compound

HCID 11057523HCID 11057523, compound

Product 1

HCID 10123048HCID 10123048, compound

Sources & evidence

ORD record: ord-c380fcfc1b6641adacaefeaf4bd17b90
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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